| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 86.8 | Confident | 93.2 | Very high | 85 Ų | 85 | 64.4 Ų | 64.4 | 42% | 0.419 | 31% | 0.308 | S | S | . | . | 0 | -52.8 | 0 | -70.9 | -50.4 | -69.8 | 0 | 0 | 113.8 | R3 I4 Q5 M91 | M1-R3 VanDerWaalsContact C-N 3.34Å; M1-R3 PolarHBondContact O-N 3.17Å; M1-I4 WeakPolarHBondContact O-CB 3.49Å; M1-I4 PolarHBondContact O-N 3.37Å; M1-I4 HydrophobicContact SD-CD1 4.03Å; M1-Q5 PolarHBondContact O-N 3.23Å; M1-Q5 VanDerWaalsContact O-N 3.08Å; M1-M91 HydrophobicContact CE-CE 3.67Å; M1-M91 HydrophobicContact SD-CE 4.26Å | |||
| 2 | E | 90.2 | Very high | 93.3 | Very high | 145 Ų | 145 | 78.4 Ų | 78.4 | 68% | 0.678 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -52.6 | -45.4 | -174.2 | -62.9 | -177.9 | 174.4 | 0 | 0 | 114.8 | I4 Q5 R6 | E2-I4 VanDerWaalsContact C-N 3.33Å; E2-I4 PolarHBondContact O-N 3.28Å; E2-Q5 PolarHBondContact O-N 3.43Å; E2-R6 PolarHBondContact O-N 2.89Å |
| 3 | R | 90.7 | Very high | 93.2 | Very high | 71 Ų | 71 | 77.8 Ų | 77.8 | 27% | 0.268 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -60.3 | -41.6 | 177.3 | -173.9 | 177.1 | -176.8 | -83.6 | -2 | 112.5 | M1 Q5 R6 I7 D118 E125 | M1-R3 VanDerWaalsContact C-N 3.34Å; M1-R3 PolarHBondContact O-N 3.17Å; R3-Q5 VanDerWaalsContact C-N 3.3Å; R3-Q5 PolarHBondContact O-N 3.02Å; R3-R6 PolarHBondContact O-N 3.05Å; R3-I7 HydrophobicContact CG-CD1 4.09Å; R3-I7 WeakPolarHBondContact O-CG1 2.96Å; R3-I7 PolarHBondContact O-N 2.85Å; R3-I7 VanDerWaalsContact O-N 3.13Å; R3-D118 IonicContact CZ-OD1 3Å; R3-D118 IonicContact NH1-OD1 3.51Å; R3-D118 PolarHBondContact NH1-OD1 3.38Å; R3-D118 IonicContact NH2-OD1 3.94Å; R3-D118 PolarHBondContact NH2-OD1 3.21Å; R3-D118 IonicContact NH2-OD2 3.73Å; R3-E125 IonicContact NE-OE2 3.24Å |
| 4 | I | 92.9 | Very high | 93.3 | Very high | 17 Ų | 17 | 73.8 Ų | 73.8 | 9% | 0.087 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.5 | -40.8 | 178.9 | -51.3 | 169.8 | 0 | 0 | 0 | 110.1 | M1 E2 R6 I7 L8 M91 W107 | M1-I4 WeakPolarHBondContact O-CB 3.49Å; M1-I4 PolarHBondContact O-N 3.37Å; M1-I4 HydrophobicContact SD-CD1 4.03Å; E2-I4 VanDerWaalsContact C-N 3.33Å; E2-I4 PolarHBondContact O-N 3.28Å; I4-R6 VanDerWaalsContact C-N 3.34Å; I4-R6 PolarHBondContact O-N 3.38Å; I4-I7 PolarHBondContact O-N 3.14Å; I4-L8 HydrophobicContact CG2-CB 4.42Å; I4-L8 WeakPolarHBondContact O-CB 3.42Å; I4-L8 PolarHBondContact O-N 3.31Å; I4-M91 HydrophobicContact CB-CE 4Å; I4-M91 HydrophobicContact CD1-CE 3.91Å; I4-M91 HydrophobicContact CG2-CE 3.32Å; I4-M91 HydrophobicContact CG2-SD 3.55Å; I4-M91 VanDerWaalsContact CG2-SD 3.55Å; I4-W107 HydrophobicContact CB-CD2 4.42Å; I4-W107 HydrophobicContact CB-CG 4.39Å; I4-W107 HydrophobicContact CD1-CB 3.97Å; I4-W107 HydrophobicContact CD1-CG 3.73Å; I4-W107 HydrophobicContact CG1-CD2 4.25Å; I4-W107 HydrophobicContact CG1-CG 3.88Å; I4-W107 HydrophobicContact CG2-CB 4.06Å; I4-W107 HydrophobicContact CG2-CD2 3.46Å; I4-W107 VanDerWaalsContact CG2-CD2 3.46Å; I4-W107 HydrophobicContact CG2-CE3 3.7Å; I4-W107 HydrophobicContact CG2-CG 3.61Å; I4-W107 HydrophobicContact CG2-CZ3 4.38Å |
| 5 | Q | 93.4 | Very high | 93.4 | Very high | 70 Ų | 70 | 75.7 Ų | 75.7 | 33% | 0.327 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.3 | -40.5 | 175.9 | -63.1 | -174.2 | -12.8 | 0 | 0 | 111.8 | M1 E2 R3 I7 K9 W88 | M1-Q5 PolarHBondContact O-N 3.23Å; M1-Q5 VanDerWaalsContact O-N 3.08Å; E2-Q5 PolarHBondContact O-N 3.43Å; R3-Q5 VanDerWaalsContact C-N 3.3Å; R3-Q5 PolarHBondContact O-N 3.02Å; Q5-I7 VanDerWaalsContact C-N 3.32Å; Q5-I7 PolarHBondContact O-N 3.13Å; Q5-K9 WeakPolarHBondContact O-CB 3.38Å; Q5-K9 PolarHBondContact O-N 3.06Å; Q5-W88 HydrophobicContact CB-CH2 4.46Å; Q5-W88 HydrophobicContact CG-CH2 3.77Å; Q5-W88 HydrophobicContact CG-CZ3 3.99Å |
| 6 | R | 92.9 | Very high | 93.6 | Very high | 100 Ų | 100 | 78.2 Ų | 78.2 | 38% | 0.377 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.5 | -39.4 | 176.6 | -69.7 | -168.8 | -64.2 | -86.9 | 4.9 | 112.6 | E2 R3 I4 E121 E125 | E2-R6 PolarHBondContact O-N 2.89Å; R3-R6 PolarHBondContact O-N 3.05Å; I4-R6 VanDerWaalsContact C-N 3.34Å; I4-R6 PolarHBondContact O-N 3.38Å; R6-E121 VanDerWaalsContact CD-OE1 3.29Å; R6-E121 WeakPolarHBondContact CD-OE1 3.45Å; R6-E121 IonicContact CZ-OE1 2.99Å; R6-E121 IonicContact NE-OE1 2.97Å; R6-E121 PolarHBondContact NE-OE1 3.33Å; R6-E121 IonicContact NH2-OE1 3.85Å; R6-E125 IonicContact CZ-OE1 3.38Å; R6-E125 IonicContact NH2-OE1 3.77Å; R6-E125 PolarHBondContact NH2-OE1 3.48Å |
| 7 | I | 95.4 | Very high | 93.7 | Very high | 3 Ų | 3 | 76.8 Ų | 76.8 | 2% | 0.015 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -75 | -48.2 | 180 | -63.6 | 165.4 | 0 | 0 | 0 | 111.4 | R3 I4 Q5 K84 W107 F114 L117 D118 E121 | R3-I7 HydrophobicContact CG-CD1 4.09Å; R3-I7 WeakPolarHBondContact O-CG1 2.96Å; R3-I7 PolarHBondContact O-N 2.85Å; R3-I7 VanDerWaalsContact O-N 3.13Å; I4-I7 PolarHBondContact O-N 3.14Å; Q5-I7 VanDerWaalsContact C-N 3.32Å; Q5-I7 PolarHBondContact O-N 3.13Å; I7-K84 WeakPolarHBondContact O-CE 3.24Å; I7-K84 PolarHBondContact O-NZ 3.1Å; I7-W107 HydrophobicContact CB-CH2 4.26Å; I7-W107 HydrophobicContact CD1-CZ2 4.14Å; I7-W107 HydrophobicContact CG2-CH2 3.63Å; I7-W107 HydrophobicContact CG2-CZ2 4.32Å; I7-W107 HydrophobicContact CG2-CZ3 4.43Å; I7-F114 HydrophobicContact CG2-CB 4.41Å; I7-L117 HydrophobicContact CG2-CB 4.08Å; I7-D118 VanDerWaalsContact CD1-OD1 3.28Å; I7-D118 WeakPolarHBondContact CD1-OD1 3.49Å; I7-E121 HydrophobicContact CD1-CB 4.28Å; I7-E121 HydrophobicContact CD1-CG 4.24Å; I7-E121 HydrophobicContact CG1-CB 3.78Å; I7-E121 HydrophobicContact CG1-CG 3.8Å |
| 8 | L | 95.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 73.7 Ų | 73.7 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -98.6 | -30.7 | -165.3 | -166.2 | 62.8 | 0 | 0 | 0 | 114.3 | I4 P10 K84 W88 M91 W107 I110 F114 | I4-L8 HydrophobicContact CG2-CB 4.42Å; I4-L8 WeakPolarHBondContact O-CB 3.42Å; I4-L8 PolarHBondContact O-N 3.31Å; L8-P10 WeakPolarHBondContact O-CD 3.39Å; L8-K84 VanDerWaalsContact C-CE 3.44Å; L8-K84 WeakPolarHBondContact O-CB 3.49Å; L8-K84 WeakPolarHBondContact O-CE 3.45Å; L8-W88 HydrophobicContact CB-CE3 4.35Å; L8-W88 HydrophobicContact CD2-CE3 4.42Å; L8-W88 HydrophobicContact CG-CB 4.29Å; L8-W88 HydrophobicContact CG-CE3 4.38Å; L8-M91 HydrophobicContact CD2-CB 4.03Å; L8-M91 HydrophobicContact CD2-CG 4.38Å; L8-M91 HydrophobicContact CD2-SD 3.74Å; L8-W107 HydrophobicContact CB-CZ3 4.29Å; L8-W107 HydrophobicContact CD1-CZ3 4.24Å; L8-W107 HydrophobicContact CD2-CE3 4.12Å; L8-W107 HydrophobicContact CD2-CZ3 4.3Å; L8-I110 HydrophobicContact CD2-CD1 3.94Å; L8-F114 HydrophobicContact CD1-CD1 4.21Å; L8-F114 HydrophobicContact CD1-CD2 4.1Å; L8-F114 HydrophobicContact CD1-CE1 3.72Å; L8-F114 HydrophobicContact CD1-CE2 3.62Å; L8-F114 HydrophobicContact CD1-CG 4.37Å; L8-F114 HydrophobicContact CD1-CZ 3.4Å; L8-F114 VanDerWaalsContact CD1-CZ 3.4Å |
| 9 | K | 96.2 | Very high | 94.1 | Very high | 104 Ų | 104 | 74.2 Ų | 74.2 | 45% | 0.452 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -71.9 | 127 | -179.1 | -174.7 | 178.6 | 176.7 | -179.4 | 0 | 109.9 | Q5 K84 W88 | Q5-K9 WeakPolarHBondContact O-CB 3.38Å; Q5-K9 PolarHBondContact O-N 3.06Å; K9-K84 VanDerWaalsContact O-CE 3.28Å; K9-K84 WeakPolarHBondContact O-CE 3.47Å; K9-K84 PolarHBondContact O-NZ 3.5Å; K9-K84 VanDerWaalsContact O-NZ 3.13Å; K9-W88 HydrophobicContact CB-CD2 3.81Å; K9-W88 HydrophobicContact CB-CE3 3.98Å; K9-W88 HydrophobicContact CB-CG 4.35Å; K9-W88 HydrophobicContact CB-CH2 4.28Å; K9-W88 HydrophobicContact CB-CZ2 4.12Å; K9-W88 HydrophobicContact CB-CZ3 4.21Å; K9-W88 HydrophobicContact CD-CH2 4.38Å; K9-W88 HydrophobicContact CD-CZ2 3.81Å; K9-W88 HydrophobicContact CG-CD2 4.02Å; K9-W88 HydrophobicContact CG-CG 4.39Å; K9-W88 HydrophobicContact CG-CZ2 3.89Å |
| 10 | P | 95.6 | Very high | 94.3 | Very high | 57 Ų | 57 | 74.7 Ų | 74.7 | 37% | 0.37 | 36% | 0.36 | S | S | . | . | trans | -57.7 | 139 | 171.2 | -24.8 | 34.2 | 0 | 0 | 0 | 111.9 | L8 K84 E85 | L8-P10 WeakPolarHBondContact O-CD 3.39Å; P10-K84 HydrophobicContact CG-CB 4.17Å; P10-E85 HydrophobicContact CG-CB 4.34Å | ||
| 11 | S | 94.8 | Very high | 94.4 | Very high | 56 Ų | 56 | 71.2 Ų | 71.2 | 39% | 0.392 | 34% | 0.343 | S | S | . | . | trans | -145.1 | 165.5 | -175.2 | 75.2 | 0 | 0 | 0 | 0 | 111.1 | A13 D14 Q15 | S11-A13 PolarHBondContact O-N 3.27Å; S11-A13 PolarHBondContact OG-N 3.04Å; S11-D14 WeakPolarHBondContact CA-OD2 3.45Å; S11-D14 WeakPolarHBondContact CB-OD2 3.42Å; S11-D14 PolarHBondContact N-OD2 3.09Å; S11-D14 WeakPolarHBondContact O-CB 3.47Å; S11-D14 PolarHBondContact O-N 2.88Å; S11-D14 VanDerWaalsContact O-N 3.13Å; S11-D14 VanDerWaalsContact OG-CG 3.27Å; S11-D14 PolarHBondContact OG-N 3.48Å; S11-D14 PolarHBondContact OG-OD2 3Å; S11-Q15 PolarHBondContact O-N 2.88Å | ||
| 12 | R | 94.6 | Very high | 95 | Very high | 233 Ų | 233 | 72.1 Ų | 72.1 | 88% | 0.879 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -63.9 | -27.1 | 173.7 | -171.7 | 176.2 | 178.4 | 179.8 | 0.6 | 112.7 | D14 Q15 H16 | R12-D14 VanDerWaalsContact C-N 3.3Å; R12-Q15 PolarHBondContact O-N 3.16Å; R12-H16 PolarHBondContact O-N 3.4Å |
| 13 | A | 92.5 | Very high | 95.3 | Very high | 70 Ų | 70 | 70.1 Ų | 70.1 | 58% | 0.579 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -68 | -33.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | S11 H16 M17 | S11-A13 PolarHBondContact O-N 3.27Å; S11-A13 PolarHBondContact OG-N 3.04Å; A13-H16 PolarHBondContact O-N 3.14Å; A13-M17 WeakPolarHBondContact O-CB 3.49Å; A13-M17 PolarHBondContact O-N 2.9Å |
| 14 | D | 94.6 | Very high | 95.6 | Very high | 22 Ų | 22 | 71.1 Ų | 71.1 | 12% | 0.118 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.1 | -43 | 175.1 | -60.7 | -54.5 | 0 | 0 | 0 | 111.3 | S11 R12 H16 M17 L18 L81 K84 | S11-D14 WeakPolarHBondContact CA-OD2 3.45Å; S11-D14 WeakPolarHBondContact CB-OD2 3.42Å; S11-D14 PolarHBondContact N-OD2 3.09Å; S11-D14 WeakPolarHBondContact O-CB 3.47Å; S11-D14 PolarHBondContact O-N 2.88Å; S11-D14 VanDerWaalsContact O-N 3.13Å; S11-D14 VanDerWaalsContact OG-CG 3.27Å; S11-D14 PolarHBondContact OG-N 3.48Å; S11-D14 PolarHBondContact OG-OD2 3Å; R12-D14 VanDerWaalsContact C-N 3.3Å; D14-H16 VanDerWaalsContact C-N 3.33Å; D14-H16 PolarHBondContact O-N 3.05Å; D14-M17 PolarHBondContact O-N 2.87Å; D14-L18 WeakPolarHBondContact O-CG 3.37Å; D14-L18 PolarHBondContact O-N 3.48Å; D14-L81 HydrophobicContact CB-CD2 3.87Å; D14-L81 WeakPolarHBondContact OD1-CD2 3Å; D14-K84 IonicContact OD1-NZ 3.32Å; D14-K84 PolarHBondContact OD1-NZ 3.4Å; D14-K84 WeakPolarHBondContact OD2-CE 3.43Å; D14-K84 IonicContact OD2-NZ 3.2Å; D14-K84 PolarHBondContact OD2-NZ 3.12Å |
| 15 | Q | 95 | Very high | 95.8 | Very high | 102 Ų | 102 | 70.7 Ų | 70.7 | 48% | 0.477 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.8 | -43.7 | 176 | -173.2 | 61.1 | 53.3 | 0 | 0 | 111.6 | S11 R12 M17 L18 D19 | S11-Q15 PolarHBondContact O-N 2.88Å; R12-Q15 PolarHBondContact O-N 3.16Å; Q15-M17 VanDerWaalsContact C-N 3.31Å; Q15-M17 PolarHBondContact O-N 2.93Å; Q15-L18 WeakPolarHBondContact O-CB 3.46Å; Q15-L18 PolarHBondContact O-N 3.03Å; Q15-D19 PolarHBondContact NE2-OD1 3.31Å; Q15-D19 PolarHBondContact O-N 3.02Å |
| 16 | H | 95.9 | Very high | 96 | Very high | 116 Ų | 116 | 68.7 Ų | 68.7 | 54% | 0.537 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.7 | -40.1 | 176.2 | -173.7 | -84.3 | 0 | 0 | 0 | 111.9 | R12 A13 D14 D19 E20 | R12-H16 PolarHBondContact O-N 3.4Å; A13-H16 PolarHBondContact O-N 3.14Å; D14-H16 VanDerWaalsContact C-N 3.33Å; D14-H16 PolarHBondContact O-N 3.05Å; H16-D19 PolarHBondContact O-N 3.28Å; H16-E20 IonicContact CE1-OE1 2.89Å; H16-E20 PolarHBondContact CE1-OE1 2.93Å; H16-E20 IonicContact ND1-OE1 3.11Å; H16-E20 PolarHBondContact ND1-OE1 3.43Å; H16-E20 WeakPolarHBondContact O-CG 3.44Å; H16-E20 PolarHBondContact O-N 3.33Å; H16-E20 VanDerWaalsContact O-N 3.09Å |
| 17 | M | 95.7 | Very high | 96.1 | Very high | 55 Ų | 55 | 70.5 Ų | 70.5 | 27% | 0.271 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.1 | -41.6 | 175.9 | -176.6 | 174.6 | -80.6 | 0 | 0 | 111.5 | A13 D14 Q15 E20 L21 L81 L117 | A13-M17 WeakPolarHBondContact O-CB 3.49Å; A13-M17 PolarHBondContact O-N 2.9Å; D14-M17 PolarHBondContact O-N 2.87Å; Q15-M17 VanDerWaalsContact C-N 3.31Å; Q15-M17 PolarHBondContact O-N 2.93Å; M17-E20 PolarHBondContact O-N 3.5Å; M17-L21 HydrophobicContact CG-CD1 3.8Å; M17-L21 HydrophobicContact CG-CG 4.31Å; M17-L21 WeakPolarHBondContact O-CB 3.37Å; M17-L21 WeakPolarHBondContact O-CD1 3.48Å; M17-L21 WeakPolarHBondContact O-CG 3.44Å; M17-L21 PolarHBondContact O-N 2.85Å; M17-L81 HydrophobicContact CB-CD1 4.29Å; M17-L81 HydrophobicContact CG-CD1 3.88Å; M17-L81 HydrophobicContact SD-CD1 3.97Å; M17-L81 HydrophobicContact SD-CD2 4.5Å; M17-L117 HydrophobicContact SD-CD2 4.31Å |
| 18 | L | 97.3 | Very high | 96.1 | Very high | 21 Ų | 21 | 72.6 Ų | 72.6 | 11% | 0.11 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -58.6 | -49.8 | 173.8 | -80 | 171.5 | 0 | 0 | 0 | 111.5 | D14 Q15 E20 L21 Y22 V78 L81 | D14-L18 WeakPolarHBondContact O-CG 3.37Å; D14-L18 PolarHBondContact O-N 3.48Å; Q15-L18 WeakPolarHBondContact O-CB 3.46Å; Q15-L18 PolarHBondContact O-N 3.03Å; L18-E20 VanDerWaalsContact C-N 3.31Å; L18-E20 PolarHBondContact O-N 3.39Å; L18-L21 PolarHBondContact O-N 3.04Å; L18-L21 VanDerWaalsContact O-N 3.1Å; L18-Y22 HydrophobicContact CB-CD2 4.45Å; L18-Y22 HydrophobicContact CB-CE2 4.25Å; L18-Y22 HydrophobicContact CD2-CE2 4.23Å; L18-Y22 WeakPolarHBondContact O-CD2 3.4Å; L18-Y22 PolarHBondContact O-N 3.29Å; L18-V78 HydrophobicContact CD2-CB 4.46Å; L18-V78 HydrophobicContact CD2-CG1 4.18Å; L18-V78 HydrophobicContact CD2-CG2 4.32Å; L18-L81 HydrophobicContact CD1-CB 4.43Å; L18-L81 HydrophobicContact CD2-CB 3.72Å; L18-L81 HydrophobicContact CD2-CD1 3.82Å; L18-L81 HydrophobicContact CD2-CG 4.41Å; L18-L81 HydrophobicContact CG-CB 4.05Å; L18-L81 HydrophobicContact CG-CD1 3.92Å |
| 19 | D | 97.8 | Very high | 96.2 | Very high | 83 Ų | 83 | 75 Ų | 75 | 44% | 0.444 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -57.2 | -46.3 | 179.6 | -62.6 | -16.6 | 0 | 0 | 0 | 110.7 | Q15 H16 L21 D23 | Q15-D19 PolarHBondContact NE2-OD1 3.31Å; Q15-D19 PolarHBondContact O-N 3.02Å; H16-D19 PolarHBondContact O-N 3.28Å; D19-L21 PolarHBondContact O-N 2.9Å; D19-D23 WeakPolarHBondContact O-CB 3.49Å; D19-D23 PolarHBondContact O-N 3Å |
| 20 | E | 97.2 | Very high | 96.2 | Very high | 84 Ų | 84 | 73.8 Ų | 73.8 | 39% | 0.393 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.2 | -38.3 | 175.8 | -74.6 | -171.6 | -172.3 | 0 | 0 | 113.8 | H16 M17 L18 R24 | H16-E20 IonicContact CE1-OE1 2.89Å; H16-E20 PolarHBondContact CE1-OE1 2.93Å; H16-E20 IonicContact ND1-OE1 3.11Å; H16-E20 PolarHBondContact ND1-OE1 3.43Å; H16-E20 WeakPolarHBondContact O-CG 3.44Å; H16-E20 PolarHBondContact O-N 3.33Å; H16-E20 VanDerWaalsContact O-N 3.09Å; M17-E20 PolarHBondContact O-N 3.5Å; L18-E20 VanDerWaalsContact C-N 3.31Å; L18-E20 PolarHBondContact O-N 3.39Å; E20-R24 WeakPolarHBondContact O-CG 3.46Å; E20-R24 PolarHBondContact O-N 3.16Å; E20-R24 IonicContact OE2-CZ 3.8Å; E20-R24 IonicContact OE2-NH1 3.98Å; E20-R24 PolarHBondContact OE2-NH1 3.42Å; E20-R24 IonicContact OE2-NH2 3.87Å |
| 21 | L | 97.9 | Very high | 96.2 | Very high | 1 Ų | 1 | 74.4 Ų | 74.4 | 1% | 0.005 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -66.9 | -47.3 | 179.2 | -74.4 | 165.5 | 0 | 0 | 0 | 110.5 | M17 L18 D19 D23 R24 I25 E74 L77 V78 L81 | M17-L21 HydrophobicContact CG-CD1 3.8Å; M17-L21 HydrophobicContact CG-CG 4.31Å; M17-L21 WeakPolarHBondContact O-CB 3.37Å; M17-L21 WeakPolarHBondContact O-CD1 3.48Å; M17-L21 WeakPolarHBondContact O-CG 3.44Å; M17-L21 PolarHBondContact O-N 2.85Å; L18-L21 PolarHBondContact O-N 3.04Å; L18-L21 VanDerWaalsContact O-N 3.1Å; D19-L21 PolarHBondContact O-N 2.9Å; L21-D23 VanDerWaalsContact C-N 3.3Å; L21-D23 PolarHBondContact O-N 2.98Å; L21-R24 PolarHBondContact O-N 3.34Å; L21-I25 WeakPolarHBondContact O-CB 3.49Å; L21-I25 VanDerWaalsContact O-CG1 3.3Å; L21-I25 WeakPolarHBondContact O-CG1 3.48Å; L21-I25 PolarHBondContact O-N 2.92Å; L21-E74 HydrophobicContact CD2-CB 3.7Å; L21-E74 HydrophobicContact CD2-CG 3.71Å; L21-L77 HydrophobicContact CD1-CB 3.81Å; L21-L77 HydrophobicContact CD2-CB 4.29Å; L21-L77 HydrophobicContact CD2-CD1 4.27Å; L21-V78 HydrophobicContact CB-CG2 3.65Å; L21-V78 HydrophobicContact CD1-CG2 3.93Å; L21-V78 HydrophobicContact CG-CG2 4.34Å; L21-L81 HydrophobicContact CD1-CD1 3.57Å |
| 22 | Y | 98.1 | Very high | 96.2 | Very high | 104 Ų | 104 | 71.9 Ų | 71.9 | 41% | 0.408 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.6 | -38.9 | 175.4 | -71 | -53.5 | 0 | 0 | 0 | 112 | L18 R24 I25 G26 V78 E82 | L18-Y22 HydrophobicContact CB-CD2 4.45Å; L18-Y22 HydrophobicContact CB-CE2 4.25Å; L18-Y22 HydrophobicContact CD2-CE2 4.23Å; L18-Y22 WeakPolarHBondContact O-CD2 3.4Å; L18-Y22 PolarHBondContact O-N 3.29Å; Y22-R24 PolarHBondContact O-N 3.46Å; Y22-I25 PolarHBondContact O-N 3.3Å; Y22-G26 PolarHBondContact O-N 2.92Å; Y22-V78 HydrophobicContact CE1-CG1 3.8Å; Y22-V78 HydrophobicContact CE1-CG2 4.36Å; Y22-E82 PolarHBondContact OH-OE1 3.22Å |
| 23 | D | 97.9 | Very high | 96.2 | Very high | 103 Ų | 103 | 63 Ų | 63 | 55% | 0.551 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -61.6 | -42.8 | 174.3 | -89.2 | -0 | 0 | 0 | 0 | 112.3 | D19 L21 K27 | D19-D23 WeakPolarHBondContact O-CB 3.49Å; D19-D23 PolarHBondContact O-N 3Å; L21-D23 VanDerWaalsContact C-N 3.3Å; L21-D23 PolarHBondContact O-N 2.98Å; D23-K27 WeakPolarHBondContact O-CD 3.41Å; D23-K27 VanDerWaalsContact O-CG 3.24Å; D23-K27 WeakPolarHBondContact O-CG 3.45Å; D23-K27 PolarHBondContact O-N 3.08Å; D23-K27 VanDerWaalsContact O-N 3.15Å |
| 24 | R | 96.4 | Very high | 96.3 | Very high | 93 Ų | 93 | 63.4 Ų | 63.4 | 35% | 0.351 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.7 | -48.2 | 177.2 | -76.5 | -173.5 | -70.6 | -98.1 | 0.5 | 111.4 | E20 L21 Y22 K27 V28 | E20-R24 WeakPolarHBondContact O-CG 3.46Å; E20-R24 PolarHBondContact O-N 3.16Å; E20-R24 IonicContact OE2-CZ 3.8Å; E20-R24 IonicContact OE2-NH1 3.98Å; E20-R24 PolarHBondContact OE2-NH1 3.42Å; E20-R24 IonicContact OE2-NH2 3.87Å; L21-R24 PolarHBondContact O-N 3.34Å; Y22-R24 PolarHBondContact O-N 3.46Å; R24-K27 PolarHBondContact O-N 3.27Å; R24-V28 PolarHBondContact O-N 3.4Å |
| 25 | I | 97.6 | Very high | 96.3 | Very high | 7 Ų | 7 | 68.6 Ų | 68.6 | 4% | 0.036 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.6 | -50.6 | 177.7 | -71.4 | 165.3 | 0 | 0 | 0 | 110.2 | L21 Y22 K27 V28 E29 V71 E74 Y75 V78 | L21-I25 WeakPolarHBondContact O-CB 3.49Å; L21-I25 VanDerWaalsContact O-CG1 3.3Å; L21-I25 WeakPolarHBondContact O-CG1 3.48Å; L21-I25 PolarHBondContact O-N 2.92Å; Y22-I25 PolarHBondContact O-N 3.3Å; I25-K27 VanDerWaalsContact C-N 3.29Å; I25-K27 PolarHBondContact O-N 3.03Å; I25-V28 PolarHBondContact O-N 3.05Å; I25-E29 HydrophobicContact CG2-CG 4.23Å; I25-E29 PolarHBondContact O-N 3.45Å; I25-V71 HydrophobicContact CG1-CG2 4.39Å; I25-E74 HydrophobicContact CD1-CB 4.01Å; I25-E74 HydrophobicContact CG1-CB 3.89Å; I25-Y75 HydrophobicContact CD1-CD1 4.01Å; I25-Y75 HydrophobicContact CD1-CD2 4.39Å; I25-Y75 HydrophobicContact CD1-CE1 4.1Å; I25-Y75 HydrophobicContact CD1-CE2 4.47Å; I25-Y75 HydrophobicContact CD1-CG 4.17Å; I25-Y75 HydrophobicContact CG1-CD2 4.48Å; I25-Y75 HydrophobicContact CG1-CE2 4.29Å; I25-Y75 HydrophobicContact CG2-CE1 3.89Å; I25-Y75 HydrophobicContact CG2-CE2 3.94Å; I25-Y75 WeakPolarHBondContact CG2-OH 3.28Å; I25-V78 HydrophobicContact CD1-CG2 3.98Å |
| 26 | G | 96.5 | Very high | 96.3 | Very high | 28 Ų | 28 | 67.6 Ų | 67.6 | 29% | 0.289 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.8 | -35.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y22 T30 | Y22-G26 PolarHBondContact O-N 2.92Å; G26-T30 WeakPolarHBondContact O-CB 3.47Å; G26-T30 PolarHBondContact O-N 3.23Å; G26-T30 PolarHBondContact O-OG1 3.1Å |
| 27 | K | 96.1 | Very high | 96.3 | Very high | 139 Ų | 139 | 62.1 Ų | 62.1 | 60% | 0.604 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -62.6 | -45 | 172.7 | -75.6 | 166.5 | -172.5 | 166.7 | 0 | 111.9 | D23 R24 I25 V31 | D23-K27 WeakPolarHBondContact O-CD 3.41Å; D23-K27 VanDerWaalsContact O-CG 3.24Å; D23-K27 WeakPolarHBondContact O-CG 3.45Å; D23-K27 PolarHBondContact O-N 3.08Å; D23-K27 VanDerWaalsContact O-N 3.15Å; R24-K27 PolarHBondContact O-N 3.27Å; I25-K27 VanDerWaalsContact C-N 3.29Å; I25-K27 PolarHBondContact O-N 3.03Å; K27-V31 WeakPolarHBondContact O-CG2 3.5Å; K27-V31 PolarHBondContact O-N 3.07Å; K27-V31 VanDerWaalsContact O-N 3.17Å |
| 28 | V | 95.6 | Very high | 96.2 | Very high | 46 Ų | 46 | 64.2 Ų | 64.2 | 28% | 0.279 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -68.8 | -46.1 | 179.7 | 172.4 | 0 | 0 | 0 | 0 | 111.3 | R24 I25 T30 V31 C32 V71 | R24-V28 PolarHBondContact O-N 3.4Å; I25-V28 PolarHBondContact O-N 3.05Å; V28-T30 VanDerWaalsContact C-N 3.3Å; V28-T30 PolarHBondContact O-N 3Å; V28-V31 PolarHBondContact O-N 3.47Å; V28-C32 WeakPolarHBondContact O-CB 3.46Å; V28-C32 PolarHBondContact O-N 3.48Å; V28-V71 HydrophobicContact CB-CG1 4.04Å; V28-V71 HydrophobicContact CB-CG2 4.44Å; V28-V71 HydrophobicContact CG1-CG1 4.18Å; V28-V71 HydrophobicContact CG1-CG2 4.23Å; V28-V71 HydrophobicContact CG2-CG1 3.61Å |
| 29 | E | 96 | Very high | 96 | Very high | 51 Ų | 51 | 69.1 Ų | 69.1 | 24% | 0.238 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.6 | -38 | 176.9 | -73.2 | -163.3 | 133.7 | 0 | 0 | 111.9 | I25 C32 N33 M64 R68 Y75 | I25-E29 HydrophobicContact CG2-CG 4.23Å; I25-E29 PolarHBondContact O-N 3.45Å; E29-C32 PolarHBondContact O-N 2.94Å; E29-N33 WeakPolarHBondContact O-CB 3.39Å; E29-N33 PolarHBondContact O-N 3.3Å; E29-M64 HydrophobicContact CB-CE 4.06Å; E29-M64 HydrophobicContact CG-CE 4.18Å; E29-R68 IonicContact OE1-CZ 3.88Å; E29-R68 IonicContact OE1-NE 3.79Å; E29-R68 PolarHBondContact OE1-NE 2.9Å; E29-R68 IonicContact OE1-NH2 2.81Å; E29-R68 PolarHBondContact OE1-NH2 3.19Å; E29-R68 VanDerWaalsContact OE1-NH2 3.15Å; E29-Y75 PolarHBondContact OE1-OH 3.41Å |
| 30 | T | 96.5 | Very high | 95.8 | Very high | 78 Ų | 78 | 66.1 Ų | 66.1 | 48% | 0.479 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.5 | -52 | 176.8 | -64.1 | 0 | 0 | 0 | 0 | 111.2 | G26 V28 C32 N33 I34 | G26-T30 WeakPolarHBondContact O-CB 3.47Å; G26-T30 PolarHBondContact O-N 3.23Å; G26-T30 PolarHBondContact O-OG1 3.1Å; V28-T30 VanDerWaalsContact C-N 3.3Å; V28-T30 PolarHBondContact O-N 3Å; T30-C32 VanDerWaalsContact C-N 3.31Å; T30-C32 PolarHBondContact O-N 3.36Å; T30-N33 PolarHBondContact O-N 3.15Å; T30-I34 HydrophobicContact CG2-CD1 4.29Å; T30-I34 WeakPolarHBondContact O-CG1 3.41Å; T30-I34 PolarHBondContact O-N 2.89Å |
| 31 | V | 96 | Very high | 95.5 | Very high | 71 Ų | 71 | 65 Ų | 65 | 43% | 0.43 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -58.1 | -47.2 | 177.9 | 171.4 | 0 | 0 | 0 | 0 | 110.1 | K27 V28 N33 I34 E35 | K27-V31 WeakPolarHBondContact O-CG2 3.5Å; K27-V31 PolarHBondContact O-N 3.07Å; K27-V31 VanDerWaalsContact O-N 3.17Å; V28-V31 PolarHBondContact O-N 3.47Å; V31-N33 PolarHBondContact O-N 3.5Å; V31-I34 PolarHBondContact O-N 2.98Å; V31-E35 WeakPolarHBondContact O-CB 3.41Å; V31-E35 PolarHBondContact O-N 3.11Å |
| 32 | C | 95.5 | Very high | 95.2 | Very high | 3 Ų | 3 | 68 Ų | 68 | 2% | 0.02 | 34% | 0.339 | C | S | . | . | I | π-helix | trans | -58.7 | -46.4 | 178.4 | -173.1 | 0 | 0 | 0 | 0 | 112.4 | V28 E29 T30 I34 T36 C37 M64 C67 | V28-C32 WeakPolarHBondContact O-CB 3.46Å; V28-C32 PolarHBondContact O-N 3.48Å; E29-C32 PolarHBondContact O-N 2.94Å; T30-C32 VanDerWaalsContact C-N 3.31Å; T30-C32 PolarHBondContact O-N 3.36Å; C32-I34 PolarHBondContact O-N 3.5Å; C32-T36 PolarHBondContact O-N 3.33Å; C32-C37 PolarHBondContact O-N 3.1Å; C32-C37 PolarHBondContact SG-SG 3.3Å; C32-M64 HydrophobicContact CB-CE 4.28Å; C32-M64 HydrophobicContact CB-SD 4.08Å; C32-C67 HydrophobicContact CB-CB 3.48Å; C32-C67 VanDerWaalsContact CB-CB 3.48Å; C32-C67 WeakPolarHBondContact CB-SG 3.43Å; C32-C67 WeakPolarHBondContact SG-CB 3.44Å; C32-C67 CovalentContact SG-SG 2.01Å; C32-C67 PolarHBondContact SG-SG 2.89Å |
| 33 | N | 94.4 | Very high | 94.7 | Very high | 47 Ų | 47 | 64.4 Ų | 64.4 | 25% | 0.251 | 33% | 0.329 | S | S | . | . | I | π-helix | trans | -65.7 | -38.9 | -178.6 | 179.9 | 39.5 | 0 | 0 | 0 | 113 | E29 T30 V31 R41 Y60 M64 | E29-N33 WeakPolarHBondContact O-CB 3.39Å; E29-N33 PolarHBondContact O-N 3.3Å; T30-N33 PolarHBondContact O-N 3.15Å; V31-N33 PolarHBondContact O-N 3.5Å; N33-R41 PolarHBondContact O-NH1 3.22Å; N33-R41 VanDerWaalsContact OD1-CD 3.24Å; N33-R41 WeakPolarHBondContact OD1-CD 3.46Å; N33-Y60 PolarHBondContact OD1-OH 3.48Å; N33-M64 HydrophobicContact CB-CE 4.43Å; N33-M64 HydrophobicContact CB-SD 4.28Å |
| 34 | I | 95 | Very high | 94.2 | Very high | 78 Ų | 78 | 60.6 Ų | 60.6 | 40% | 0.4 | 31% | 0.308 | S | S | . | . | I | π-helix | trans | -92.7 | -18 | -174.9 | 75.2 | -179.9 | 0 | 0 | 0 | 114.6 | T30 V31 C32 K38 | T30-I34 HydrophobicContact CG2-CD1 4.29Å; T30-I34 WeakPolarHBondContact O-CG1 3.41Å; T30-I34 PolarHBondContact O-N 2.89Å; V31-I34 PolarHBondContact O-N 2.98Å; C32-I34 PolarHBondContact O-N 3.5Å; I34-K38 WeakPolarHBondContact O-CD 3.4Å |
| 35 | E | 94.6 | Very high | 93.6 | Very high | 131 Ų | 131 | 61.8 Ų | 61.8 | 61% | 0.612 | 33% | 0.326 | S | S | * | . | I | π-helix | trans | -117.1 | -76.5 | 179.6 | -71.3 | 169.6 | -155.3 | 0 | 0 | 111.1 | V31 C37 K38 | V31-E35 WeakPolarHBondContact O-CB 3.41Å; V31-E35 PolarHBondContact O-N 3.11Å; E35-C37 PolarHBondContact O-N 2.91Å; E35-K38 VanDerWaalsContact O-CB 3.23Å; E35-K38 WeakPolarHBondContact O-CB 3.39Å; E35-K38 PolarHBondContact O-N 3.36Å |
| 36 | T | 94.1 | Very high | 92.9 | Very high | 81 Ų | 81 | 67 Ų | 67 | 50% | 0.497 | 36% | 0.358 | S | S | . | . | I | π-helix | trans | -56 | -53.3 | -170.9 | -50.7 | 0 | 0 | 0 | 0 | 112.8 | C32 H39 | C32-T36 PolarHBondContact O-N 3.33Å; T36-H39 PolarHBondContact O-CE1 3.08Å; T36-H39 PolarHBondContact O-ND1 3.34Å; T36-H39 VanDerWaalsContact O-ND1 3.13Å |
| 37 | C | 95.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 9.3 | -176.3 | -55 | 0 | 0 | 0 | 0 | 113.2 | C32 E35 H39 L40 R41 Y60 C63 M64 | C32-C37 PolarHBondContact O-N 3.1Å; C32-C37 PolarHBondContact SG-SG 3.3Å; E35-C37 PolarHBondContact O-N 2.91Å; C37-H39 VanDerWaalsContact C-N 3.26Å; C37-H39 PolarHBondContact O-N 3.48Å; C37-L40 PolarHBondContact O-N 3.23Å; C37-R41 PolarHBondContact O-N 3.5Å; C37-Y60 HydrophobicContact CB-CD2 4.11Å; C37-Y60 HydrophobicContact CB-CE2 4Å; C37-C63 WeakPolarHBondContact CA-SG 3.39Å; C37-C63 HydrophobicContact CB-CB 4Å; C37-C63 WeakPolarHBondContact CB-SG 3.45Å; C37-C63 WeakPolarHBondContact SG-CB 3.48Å; C37-C63 PolarHBondContact SG-O 3Å; C37-C63 CovalentContact SG-SG 2.03Å; C37-C63 PolarHBondContact SG-SG 3.43Å; C37-M64 HydrophobicContact CB-SD 4.25Å |
| 38 | K | 95 | Very high | 90.6 | Very high | 100 Ų | 100 | 69 Ų | 69 | 44% | 0.435 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -52.9 | -43.1 | -178.8 | -179.5 | -178.8 | 177.1 | 179.3 | 0 | 112.9 | I34 E35 L40 R41 D42 | I34-K38 WeakPolarHBondContact O-CD 3.4Å; E35-K38 VanDerWaalsContact O-CB 3.23Å; E35-K38 WeakPolarHBondContact O-CB 3.39Å; E35-K38 PolarHBondContact O-N 3.36Å; K38-L40 PolarHBondContact O-N 3.47Å; K38-R41 PolarHBondContact O-N 3.4Å; K38-D42 VanDerWaalsContact CE-OD2 3.26Å; K38-D42 WeakPolarHBondContact CE-OD2 3.45Å; K38-D42 WeakPolarHBondContact CG-OD2 3.42Å; K38-D42 PolarHBondContact O-N 3.4Å |
| 39 | H | 92.6 | Very high | 90 | Very high | 123 Ų | 123 | 68.8 Ų | 68.8 | 57% | 0.569 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -64.2 | -20.9 | -178.3 | 68.2 | -77.4 | 0 | 0 | 0 | 113.5 | T36 C37 P43 | T36-H39 PolarHBondContact O-CE1 3.08Å; T36-H39 PolarHBondContact O-ND1 3.34Å; T36-H39 VanDerWaalsContact O-ND1 3.13Å; C37-H39 VanDerWaalsContact C-N 3.26Å; C37-H39 PolarHBondContact O-N 3.48Å; H39-P43 WeakPolarHBondContact O-CD 3.42Å; H39-P43 WeakPolarHBondContact O-CG 3.49Å |
| 40 | L | 92.8 | Very high | 89.6 | Confident | 21 Ų | 21 | 74.3 Ų | 74.3 | 11% | 0.11 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -95.2 | -35.9 | 173.8 | -61.6 | 170.7 | 0 | 0 | 0 | 111.7 | C37 K38 P43 L44 M56 K59 Y60 C63 | C37-L40 PolarHBondContact O-N 3.23Å; K38-L40 PolarHBondContact O-N 3.47Å; L40-P43 WeakPolarHBondContact O-CD 3.4Å; L40-L44 WeakPolarHBondContact O-CG 3.45Å; L40-M56 HydrophobicContact CB-CE 4.26Å; L40-M56 HydrophobicContact CD2-CE 3.65Å; L40-K59 HydrophobicContact CD1-CB 4.22Å; L40-K59 WeakPolarHBondContact CD1-O 3.5Å; L40-K59 HydrophobicContact CD2-CB 4.05Å; L40-Y60 HydrophobicContact CB-CD2 4.09Å; L40-C63 HydrophobicContact CD1-CB 3.65Å |
| 41 | R | 91.8 | Very high | 89.2 | Confident | 61 Ų | 61 | 77.3 Ų | 77.3 | 23% | 0.23 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -62.2 | -50.8 | 175.6 | -175.1 | -157.6 | 68.6 | -173.4 | 2.7 | 112.6 | N33 C37 K38 L44 V45 Y60 | N33-R41 PolarHBondContact O-NH1 3.22Å; N33-R41 VanDerWaalsContact OD1-CD 3.24Å; N33-R41 WeakPolarHBondContact OD1-CD 3.46Å; C37-R41 PolarHBondContact O-N 3.5Å; K38-R41 PolarHBondContact O-N 3.4Å; R41-L44 WeakPolarHBondContact O-CB 3.43Å; R41-L44 PolarHBondContact O-N 3.27Å; R41-V45 PolarHBondContact O-N 2.91Å; R41-Y60 HydrophobicContact CB-CD2 4.24Å; R41-Y60 HydrophobicContact CB-CE2 3.86Å; R41-Y60 HydrophobicContact CG-CE2 4.37Å |
| 42 | D | 91.2 | Very high | 88.8 | Confident | 62 Ų | 62 | 78.3 Ų | 78.3 | 33% | 0.332 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -58.5 | -45 | -172.4 | -70.2 | -9.8 | 0 | 0 | 0 | 112.1 | K38 L44 V45 V46 | K38-D42 VanDerWaalsContact CE-OD2 3.26Å; K38-D42 WeakPolarHBondContact CE-OD2 3.45Å; K38-D42 WeakPolarHBondContact CG-OD2 3.42Å; K38-D42 PolarHBondContact O-N 3.4Å; D42-L44 VanDerWaalsContact C-N 3.31Å; D42-L44 PolarHBondContact O-N 2.84Å; D42-V45 PolarHBondContact O-N 3.2Å; D42-V46 WeakPolarHBondContact O-CG2 3.49Å; D42-V46 PolarHBondContact O-N 3.05Å |
| 43 | P | 87.7 | Confident | 88.4 | Confident | 30 Ų | 30 | 82.2 Ų | 82.2 | 20% | 0.195 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -65.1 | -26.5 | 173.9 | -22.3 | 32.9 | 0 | 0 | 0 | 115.4 | H39 L40 M56 | H39-P43 WeakPolarHBondContact O-CD 3.42Å; H39-P43 WeakPolarHBondContact O-CG 3.49Å; L40-P43 WeakPolarHBondContact O-CD 3.4Å; P43-M56 HydrophobicContact CB-CE 3.99Å; P43-M56 HydrophobicContact CG-CE 4.07Å |
| 44 | L | 87.9 | Confident | 88.3 | Confident | 23 Ų | 23 | 86.8 Ų | 86.8 | 12% | 0.12 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -68.8 | -36.6 | 176.2 | -74.2 | 168.1 | 0 | 0 | 0 | 111.5 | L40 R41 D42 G47 F53 M56 M57 Y60 | L40-L44 WeakPolarHBondContact O-CG 3.45Å; R41-L44 WeakPolarHBondContact O-CB 3.43Å; R41-L44 PolarHBondContact O-N 3.27Å; D42-L44 VanDerWaalsContact C-N 3.31Å; D42-L44 PolarHBondContact O-N 2.84Å; L44-G47 PolarHBondContact O-N 3.24Å; L44-F53 HydrophobicContact CB-CE2 4.47Å; L44-F53 HydrophobicContact CD2-CD2 3.69Å; L44-F53 HydrophobicContact CD2-CE2 3.66Å; L44-F53 HydrophobicContact CD2-CG 4.38Å; L44-F53 HydrophobicContact CD2-CZ 4.3Å; L44-M56 HydrophobicContact CD2-CB 3.66Å; L44-M56 HydrophobicContact CG-CB 4.18Å; L44-M57 HydrophobicContact CD1-SD 4.02Å; L44-M57 HydrophobicContact CD2-CB 4.16Å; L44-M57 HydrophobicContact CD2-SD 4.49Å; L44-Y60 HydrophobicContact CD1-CD1 4.23Å; L44-Y60 HydrophobicContact CD1-CD2 4.25Å; L44-Y60 HydrophobicContact CD1-CG 3.77Å |
| 45 | V | 82.8 | Confident | 88.1 | Confident | 117 Ų | 117 | 88 Ų | 88 | 71% | 0.709 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -70 | -35.2 | 179.1 | 178.1 | 0 | 0 | 0 | 0 | 112.1 | R41 D42 G47 | R41-V45 PolarHBondContact O-N 2.91Å; D42-V45 PolarHBondContact O-N 3.2Å; V45-G47 PolarHBondContact O-N 2.85Å |
| 46 | V | 82.6 | Confident | 87.9 | Confident | 118 Ų | 118 | 83.5 Ų | 83.5 | 72% | 0.715 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -66.6 | -22.3 | -178.6 | 175.6 | 0 | 0 | 0 | 0 | 112.3 | D42 | D42-V46 WeakPolarHBondContact O-CG2 3.49Å; D42-V46 PolarHBondContact O-N 3.05Å |
| 47 | G | 69.7 | Low | 87.9 | Confident | 48 Ų | 48 | 82.7 Ų | 82.7 | 50% | 0.495 | 41% | 0.414 | S | S | . | . | trans | 74 | 119.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L44 V45 | L44-G47 PolarHBondContact O-N 3.24Å; V45-G47 PolarHBondContact O-N 2.85Å | ||
| 48 | R | 75.1 | Confident | 87.8 | Confident | 160 Ų | 160 | 89.1 Ų | 89.1 | 60% | 0.604 | 44% | 0.442 | S | S | * | . | trans | -123.9 | 179 | 172.1 | -63 | -167.2 | -173.2 | -144.1 | 2.6 | 109.4 | E52 | R48-E52 HydrophobicContact CB-CB 3.86Š| ||
| 49 | G | 84 | Confident | 87.9 | Confident | 41 Ų | 41 | 89.6 Ų | 89.6 | 42% | 0.423 | 44% | 0.444 | S | S | . | . | trans | -50.4 | 150.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | K51 E52 F53 | G49-K51 PolarHBondContact O-N 3.36Å; G49-K51 VanDerWaalsContact O-N 3.13Å; G49-E52 WeakPolarHBondContact CA-OE2 3.48Å; G49-E52 PolarHBondContact O-N 3.18Å; G49-E52 VanDerWaalsContact O-N 3.12Å; G49-E52 VanDerWaalsContact O-OE2 3.13Å; G49-F53 PolarHBondContact O-N 2.89Å | ||
| 50 | F | 86.5 | Confident | 88 | Confident | 167 Ų | 167 | 85.4 Ų | 85.4 | 73% | 0.732 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -54.8 | -36.5 | -173.4 | 177.3 | -99.8 | 0 | 0 | 0 | 112.9 | K54 | F50-K54 WeakPolarHBondContact O-CB 3.39Å; F50-K54 PolarHBondContact O-N 3.41Å |
| 51 | K | 87.7 | Confident | 88.2 | Confident | 142 Ų | 142 | 87.3 Ų | 87.3 | 62% | 0.617 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -66.6 | -49 | 179.3 | -172.7 | -178.6 | 175.6 | -172.4 | 0 | 111.1 | G49 F53 K54 E55 | G49-K51 PolarHBondContact O-N 3.36Å; G49-K51 VanDerWaalsContact O-N 3.13Å; K51-F53 VanDerWaalsContact C-N 3.33Å; K51-F53 PolarHBondContact O-N 2.98Å; K51-K54 PolarHBondContact O-N 3.28Å; K51-E55 VanDerWaalsContact CE-OE1 3.25Å; K51-E55 WeakPolarHBondContact CE-OE1 3.35Å; K51-E55 WeakPolarHBondContact O-CG 3.37Å; K51-E55 PolarHBondContact O-N 2.89Å |
| 52 | E | 87.3 | Confident | 88.4 | Confident | 92 Ų | 92 | 89.1 Ų | 89.1 | 43% | 0.43 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63.6 | -40 | 178 | -63.6 | 79.1 | -176.6 | 0 | 0 | 111.3 | R48 G49 E55 M56 | R48-E52 HydrophobicContact CB-CB 3.86Å; G49-E52 WeakPolarHBondContact CA-OE2 3.48Å; G49-E52 PolarHBondContact O-N 3.18Å; G49-E52 VanDerWaalsContact O-N 3.12Å; G49-E52 VanDerWaalsContact O-OE2 3.13Å; E52-E55 PolarHBondContact O-N 3.43Å; E52-M56 WeakPolarHBondContact O-CB 3.42Å; E52-M56 VanDerWaalsContact O-CG 3.31Å; E52-M56 WeakPolarHBondContact O-CG 3.33Å; E52-M56 PolarHBondContact O-N 2.98Å |
| 53 | F | 89 | Confident | 88.7 | Confident | 84 Ų | 84 | 87.1 Ų | 87.1 | 37% | 0.368 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -60.2 | -49.2 | 174.7 | 178.1 | -91.1 | 0 | 0 | 0 | 111.3 | L44 G49 K51 E55 M56 M57 | L44-F53 HydrophobicContact CB-CE2 4.47Å; L44-F53 HydrophobicContact CD2-CD2 3.69Å; L44-F53 HydrophobicContact CD2-CE2 3.66Å; L44-F53 HydrophobicContact CD2-CG 4.38Å; L44-F53 HydrophobicContact CD2-CZ 4.3Å; G49-F53 PolarHBondContact O-N 2.89Å; K51-F53 VanDerWaalsContact C-N 3.33Å; K51-F53 PolarHBondContact O-N 2.98Å; F53-E55 VanDerWaalsContact C-N 3.35Å; F53-E55 PolarHBondContact O-N 3.02Å; F53-M56 PolarHBondContact O-N 2.94Å; F53-M57 HydrophobicContact CE1-CB 4.43Å; F53-M57 WeakPolarHBondContact O-CB 3.46Å; F53-M57 PolarHBondContact O-N 3.45Å |
| 54 | K | 90.3 | Very high | 89.1 | Confident | 143 Ų | 143 | 86 Ų | 86 | 62% | 0.622 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -60.9 | -42.8 | 179.7 | -174.1 | 178.8 | 179.8 | 179.2 | 0 | 112.2 | F50 K51 M57 K58 | F50-K54 WeakPolarHBondContact O-CB 3.39Å; F50-K54 PolarHBondContact O-N 3.41Å; K51-K54 PolarHBondContact O-N 3.28Å; K54-M57 PolarHBondContact O-N 3.24Å; K54-K58 PolarHBondContact O-N 2.9Å; K54-K58 VanDerWaalsContact O-N 3.14Å |
| 55 | E | 91.2 | Very high | 89.5 | Confident | 104 Ų | 104 | 88.6 Ų | 88.6 | 49% | 0.486 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -66.1 | -39.7 | 177.1 | -72.6 | 175.7 | -168.5 | 0 | 0 | 112.2 | K51 E52 F53 K59 | K51-E55 VanDerWaalsContact CE-OE1 3.25Å; K51-E55 WeakPolarHBondContact CE-OE1 3.35Å; K51-E55 WeakPolarHBondContact O-CG 3.37Å; K51-E55 PolarHBondContact O-N 2.89Å; E52-E55 PolarHBondContact O-N 3.43Å; F53-E55 VanDerWaalsContact C-N 3.35Å; F53-E55 PolarHBondContact O-N 3.02Å; E55-K59 PolarHBondContact O-N 3.18Å |
| 56 | M | 91.1 | Very high | 90 | Very high | 37 Ų | 37 | 89.1 Ų | 89.1 | 18% | 0.182 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -69.1 | -39.6 | 175.6 | -76.4 | -63.3 | -57.4 | 0 | 0 | 112.5 | L40 P43 L44 E52 F53 K58 K59 Y60 | L40-M56 HydrophobicContact CB-CE 4.26Å; L40-M56 HydrophobicContact CD2-CE 3.65Å; P43-M56 HydrophobicContact CB-CE 3.99Å; P43-M56 HydrophobicContact CG-CE 4.07Å; L44-M56 HydrophobicContact CD2-CB 3.66Å; L44-M56 HydrophobicContact CG-CB 4.18Å; E52-M56 WeakPolarHBondContact O-CB 3.42Å; E52-M56 VanDerWaalsContact O-CG 3.31Å; E52-M56 WeakPolarHBondContact O-CG 3.33Å; E52-M56 PolarHBondContact O-N 2.98Å; F53-M56 PolarHBondContact O-N 2.94Å; M56-K58 VanDerWaalsContact C-N 3.31Å; M56-K58 PolarHBondContact O-N 3.32Å; M56-K59 PolarHBondContact O-N 2.94Å; M56-Y60 PolarHBondContact O-N 3.23Å |
| 57 | M | 93.5 | Very high | 90.6 | Very high | 64 Ų | 64 | 84.4 Ų | 84.4 | 32% | 0.315 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62.3 | -43.8 | 179.5 | -172.8 | 65.1 | -166.5 | 0 | 0 | 110.1 | L44 F53 K54 K59 Y60 D61 | L44-M57 HydrophobicContact CD1-SD 4.02Å; L44-M57 HydrophobicContact CD2-CB 4.16Å; L44-M57 HydrophobicContact CD2-SD 4.49Å; F53-M57 HydrophobicContact CE1-CB 4.43Å; F53-M57 WeakPolarHBondContact O-CB 3.46Å; F53-M57 PolarHBondContact O-N 3.45Å; K54-M57 PolarHBondContact O-N 3.24Å; M57-K59 VanDerWaalsContact C-N 3.33Å; M57-K59 PolarHBondContact O-N 3.45Å; M57-Y60 HydrophobicContact CE-CD1 4.29Å; M57-Y60 WeakPolarHBondContact O-CB 3.35Å; M57-Y60 PolarHBondContact O-N 2.99Å; M57-Y60 VanDerWaalsContact O-N 3.12Å; M57-Y60 HydrophobicContact SD-CD1 4.31Å; M57-D61 VanDerWaalsContact CE-OD1 3.25Å; M57-D61 WeakPolarHBondContact CE-OD1 3.34Å; M57-D61 PolarHBondContact O-N 3.38Å |
| 58 | K | 94.9 | Very high | 91.7 | Very high | 134 Ų | 134 | 85.9 Ų | 85.9 | 58% | 0.583 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -56.2 | -46.4 | 174.3 | -173.5 | -177.9 | 178 | -162.8 | 0 | 112.3 | K54 M56 Y60 D61 E62 | K54-K58 PolarHBondContact O-N 2.9Å; K54-K58 VanDerWaalsContact O-N 3.14Å; M56-K58 VanDerWaalsContact C-N 3.31Å; M56-K58 PolarHBondContact O-N 3.32Å; K58-Y60 VanDerWaalsContact C-N 3.32Å; K58-Y60 PolarHBondContact O-N 3.4Å; K58-D61 PolarHBondContact O-N 2.92Å; K58-E62 WeakPolarHBondContact CE-OE1 3.29Å; K58-E62 IonicContact NZ-OE1 3.07Å; K58-E62 VanDerWaalsContact O-CG 3.32Å; K58-E62 WeakPolarHBondContact O-CG 3.45Å; K58-E62 PolarHBondContact O-N 3.04Å |
| 59 | K | 95.5 | Very high | 92.7 | Very high | 110 Ų | 110 | 83.6 Ų | 83.6 | 48% | 0.478 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -64.8 | -37.9 | 177.7 | -69.3 | 176.9 | -178.9 | 177.4 | 0 | 112 | L40 E55 M56 M57 C63 | L40-K59 HydrophobicContact CD1-CB 4.22Å; L40-K59 WeakPolarHBondContact CD1-O 3.5Å; L40-K59 HydrophobicContact CD2-CB 4.05Å; E55-K59 PolarHBondContact O-N 3.18Å; M56-K59 PolarHBondContact O-N 2.94Å; M57-K59 VanDerWaalsContact C-N 3.33Å; M57-K59 PolarHBondContact O-N 3.45Å; K59-C63 WeakPolarHBondContact O-CB 3.39Å; K59-C63 PolarHBondContact O-N 2.97Å |
| 60 | Y | 95.9 | Very high | 93 | Very high | 36 Ų | 36 | 85.5 Ų | 85.5 | 14% | 0.141 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -65.7 | -44.5 | 176.9 | 174.8 | -96.2 | 0 | 0 | 0 | 111.4 | N33 C37 L40 R41 L44 M56 M57 K58 C63 M64 | N33-Y60 PolarHBondContact OD1-OH 3.48Å; C37-Y60 HydrophobicContact CB-CD2 4.11Å; C37-Y60 HydrophobicContact CB-CE2 4Å; L40-Y60 HydrophobicContact CB-CD2 4.09Å; R41-Y60 HydrophobicContact CB-CD2 4.24Å; R41-Y60 HydrophobicContact CB-CE2 3.86Å; R41-Y60 HydrophobicContact CG-CE2 4.37Å; L44-Y60 HydrophobicContact CD1-CD1 4.23Å; L44-Y60 HydrophobicContact CD1-CD2 4.25Å; L44-Y60 HydrophobicContact CD1-CG 3.77Å; M56-Y60 PolarHBondContact O-N 3.23Å; M57-Y60 HydrophobicContact CE-CD1 4.29Å; M57-Y60 WeakPolarHBondContact O-CB 3.35Å; M57-Y60 PolarHBondContact O-N 2.99Å; M57-Y60 VanDerWaalsContact O-N 3.12Å; M57-Y60 HydrophobicContact SD-CD1 4.31Å; K58-Y60 VanDerWaalsContact C-N 3.32Å; K58-Y60 PolarHBondContact O-N 3.4Å; Y60-C63 WeakPolarHBondContact O-CB 3.4Å; Y60-C63 PolarHBondContact O-N 2.98Å; Y60-M64 HydrophobicContact CD1-CG 4.15Å; Y60-M64 HydrophobicContact CD2-CG 4.46Å; Y60-M64 HydrophobicContact CE1-CG 3.66Å; Y60-M64 HydrophobicContact CE2-CG 4.01Å; Y60-M64 HydrophobicContact CE2-SD 4.21Å; Y60-M64 WeakPolarHBondContact O-CG 3.16Å; Y60-M64 PolarHBondContact O-N 3.13Å |
| 61 | D | 96 | Very high | 93.5 | Very high | 61 Ų | 61 | 78 Ų | 78 | 33% | 0.326 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61 | -45.5 | 175.4 | -69 | -28.2 | 0 | 0 | 0 | 111.1 | M57 K58 C63 M64 D65 | M57-D61 VanDerWaalsContact CE-OD1 3.25Å; M57-D61 WeakPolarHBondContact CE-OD1 3.34Å; M57-D61 PolarHBondContact O-N 3.38Å; K58-D61 PolarHBondContact O-N 2.92Å; D61-C63 VanDerWaalsContact C-N 3.29Å; D61-C63 PolarHBondContact O-N 3.25Å; D61-M64 PolarHBondContact O-N 3.3Å; D61-D65 WeakPolarHBondContact O-CB 3.5Å; D61-D65 VanDerWaalsContact O-CG 3.24Å; D61-D65 PolarHBondContact O-N 2.69Å |
| 62 | E | 96.6 | Very high | 93.9 | Very high | 99 Ų | 99 | 78 Ų | 78 | 46% | 0.463 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -56.2 | -42.7 | 173.6 | -73.5 | 169 | -179.1 | 0 | 0 | 111.7 | K58 D65 D66 | K58-E62 WeakPolarHBondContact CE-OE1 3.29Å; K58-E62 IonicContact NZ-OE1 3.07Å; K58-E62 VanDerWaalsContact O-CG 3.32Å; K58-E62 WeakPolarHBondContact O-CG 3.45Å; K58-E62 PolarHBondContact O-N 3.04Å; E62-D65 PolarHBondContact O-N 3.29Å; E62-D66 PolarHBondContact O-N 2.72Å |
| 63 | C | 96.8 | Very high | 94.2 | Very high | 19 Ų | 19 | 77 Ų | 77 | 13% | 0.128 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -66.9 | -41.4 | 176.8 | -176.5 | 0 | 0 | 0 | 0 | 112.9 | C37 L40 K59 Y60 D61 D65 D66 C67 | C37-C63 WeakPolarHBondContact CA-SG 3.39Å; C37-C63 HydrophobicContact CB-CB 4Å; C37-C63 WeakPolarHBondContact CB-SG 3.45Å; C37-C63 WeakPolarHBondContact SG-CB 3.48Å; C37-C63 PolarHBondContact SG-O 3Å; C37-C63 CovalentContact SG-SG 2.03Å; C37-C63 PolarHBondContact SG-SG 3.43Å; L40-C63 HydrophobicContact CD1-CB 3.65Å; K59-C63 WeakPolarHBondContact O-CB 3.39Å; K59-C63 PolarHBondContact O-N 2.97Å; Y60-C63 WeakPolarHBondContact O-CB 3.4Å; Y60-C63 PolarHBondContact O-N 2.98Å; D61-C63 VanDerWaalsContact C-N 3.29Å; D61-C63 PolarHBondContact O-N 3.25Å; C63-D65 VanDerWaalsContact C-N 3.35Å; C63-D66 PolarHBondContact O-N 3.45Å; C63-C67 PolarHBondContact O-N 3.06Å |
| 64 | M | 96.6 | Very high | 94.6 | Very high | 6 Ų | 6 | 75.4 Ų | 75.4 | 3% | 0.03 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -68.6 | -35.9 | 177.2 | -71.7 | -62.5 | -60.9 | 0 | 0 | 111.4 | E29 C32 N33 C37 Y60 D61 D66 C67 R68 | E29-M64 HydrophobicContact CB-CE 4.06Å; E29-M64 HydrophobicContact CG-CE 4.18Å; C32-M64 HydrophobicContact CB-CE 4.28Å; C32-M64 HydrophobicContact CB-SD 4.08Å; N33-M64 HydrophobicContact CB-CE 4.43Å; N33-M64 HydrophobicContact CB-SD 4.28Å; C37-M64 HydrophobicContact CB-SD 4.25Å; Y60-M64 HydrophobicContact CD1-CG 4.15Å; Y60-M64 HydrophobicContact CD2-CG 4.46Å; Y60-M64 HydrophobicContact CE1-CG 3.66Å; Y60-M64 HydrophobicContact CE2-CG 4.01Å; Y60-M64 HydrophobicContact CE2-SD 4.21Å; Y60-M64 WeakPolarHBondContact O-CG 3.16Å; Y60-M64 PolarHBondContact O-N 3.13Å; D61-M64 PolarHBondContact O-N 3.3Å; M64-D66 VanDerWaalsContact C-N 3.33Å; M64-D66 PolarHBondContact O-N 3.22Å; M64-C67 WeakPolarHBondContact O-CA 3.47Å; M64-C67 WeakPolarHBondContact O-CB 3.44Å; M64-C67 PolarHBondContact O-N 2.95Å; M64-C67 VanDerWaalsContact O-N 3.07Å; M64-R68 WeakPolarHBondContact O-CG 3.37Å; M64-R68 PolarHBondContact O-N 3.23Å |
| 65 | D | 95.9 | Very high | 94.9 | Very high | 79 Ų | 79 | 71.8 Ų | 71.8 | 42% | 0.422 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.1 | -40.7 | 176.6 | -74.9 | -12.4 | 0 | 0 | 0 | 111.5 | D61 E62 C63 C67 R68 M69 | D61-D65 WeakPolarHBondContact O-CB 3.5Å; D61-D65 VanDerWaalsContact O-CG 3.24Å; D61-D65 PolarHBondContact O-N 2.69Å; E62-D65 PolarHBondContact O-N 3.29Å; C63-D65 VanDerWaalsContact C-N 3.35Å; D65-C67 PolarHBondContact O-N 3.45Å; D65-R68 PolarHBondContact O-N 3.43Å; D65-R68 VanDerWaalsContact O-N 3.07Å; D65-R68 IonicContact OD1-CZ 3.37Å; D65-R68 IonicContact OD1-NH1 2.71Å; D65-R68 PolarHBondContact OD1-NH1 3.34Å; D65-M69 WeakPolarHBondContact O-CG 3.48Å; D65-M69 PolarHBondContact O-N 3.36Å |
| 66 | D | 94.6 | Very high | 95.2 | Very high | 128 Ų | 128 | 69.3 Ų | 69.3 | 68% | 0.684 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -57.9 | -36.1 | 172.6 | -75.9 | -18.6 | 0 | 0 | 0 | 112.2 | E62 C63 M64 M69 | E62-D66 PolarHBondContact O-N 2.72Å; C63-D66 PolarHBondContact O-N 3.45Å; M64-D66 VanDerWaalsContact C-N 3.33Å; M64-D66 PolarHBondContact O-N 3.22Å; D66-M69 WeakPolarHBondContact O-CB 3.43Å |
| 67 | C | 93.5 | Very high | 95.5 | Very high | 19 Ų | 19 | 68.1 Ų | 68.1 | 13% | 0.128 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -73 | -38.2 | 174.1 | -66 | 0 | 0 | 0 | 0 | 112.8 | C32 C63 M64 D65 M69 A70 | C32-C67 HydrophobicContact CB-CB 3.48Å; C32-C67 VanDerWaalsContact CB-CB 3.48Å; C32-C67 WeakPolarHBondContact CB-SG 3.43Å; C32-C67 WeakPolarHBondContact SG-CB 3.44Å; C32-C67 CovalentContact SG-SG 2.01Å; C32-C67 PolarHBondContact SG-SG 2.89Å; C63-C67 PolarHBondContact O-N 3.06Å; M64-C67 WeakPolarHBondContact O-CA 3.47Å; M64-C67 WeakPolarHBondContact O-CB 3.44Å; M64-C67 PolarHBondContact O-N 2.95Å; M64-C67 VanDerWaalsContact O-N 3.07Å; D65-C67 PolarHBondContact O-N 3.45Å; C67-M69 PolarHBondContact O-N 2.68Å; C67-A70 VanDerWaalsContact O-CB 3.3Å; C67-A70 WeakPolarHBondContact O-CB 3.44Å; C67-A70 PolarHBondContact O-N 2.7Å; C67-A70 VanDerWaalsContact O-N 3.09Å |
| 68 | R | 94.4 | Very high | 95.7 | Very high | 78 Ų | 78 | 65.5 Ų | 65.5 | 29% | 0.294 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.7 | -28.7 | 176.9 | -68.4 | 172.5 | -179.2 | 143.1 | -1.1 | 111.9 | E29 M64 D65 A70 V71 R72 Y75 | E29-R68 IonicContact OE1-CZ 3.88Å; E29-R68 IonicContact OE1-NE 3.79Å; E29-R68 PolarHBondContact OE1-NE 2.9Å; E29-R68 IonicContact OE1-NH2 2.81Å; E29-R68 PolarHBondContact OE1-NH2 3.19Å; E29-R68 VanDerWaalsContact OE1-NH2 3.15Å; M64-R68 WeakPolarHBondContact O-CG 3.37Å; M64-R68 PolarHBondContact O-N 3.23Å; D65-R68 PolarHBondContact O-N 3.43Å; D65-R68 VanDerWaalsContact O-N 3.07Å; D65-R68 IonicContact OD1-CZ 3.37Å; D65-R68 IonicContact OD1-NH1 2.71Å; D65-R68 PolarHBondContact OD1-NH1 3.34Å; R68-A70 PolarHBondContact O-N 2.89Å; R68-V71 CarbonylContact O-C 3.3Å; R68-V71 VanDerWaalsContact O-C 3.3Å; R68-V71 PolarHBondContact O-N 3.43Å; R68-R72 PolarHBondContact O-N 3.18Å; R68-Y75 HydrophobicContact CB-CD2 4.4Å; R68-Y75 HydrophobicContact CB-CE2 3.79Å; R68-Y75 HydrophobicContact CG-CE2 3.72Å |
| 69 | M | 94.6 | Very high | 95.8 | Very high | 112 Ų | 112 | 63.5 Ų | 63.5 | 55% | 0.552 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -57.4 | -30.9 | 172.7 | -72.1 | -60.5 | -60.2 | 0 | 0 | 112.9 | D65 D66 C67 V71 R72 | D65-M69 WeakPolarHBondContact O-CG 3.48Å; D65-M69 PolarHBondContact O-N 3.36Å; D66-M69 WeakPolarHBondContact O-CB 3.43Å; C67-M69 PolarHBondContact O-N 2.68Å; M69-V71 VanDerWaalsContact C-N 3.26Å; M69-V71 PolarHBondContact O-N 2.83Å; M69-R72 PolarHBondContact O-N 2.84Å |
| 70 | A | 92.2 | Very high | 96 | Very high | 81 Ų | 81 | 58.8 Ų | 58.8 | 67% | 0.669 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -68.4 | -24.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | C67 R68 | C67-A70 VanDerWaalsContact O-CB 3.3Å; C67-A70 WeakPolarHBondContact O-CB 3.44Å; C67-A70 PolarHBondContact O-N 2.7Å; C67-A70 VanDerWaalsContact O-N 3.09Å; R68-A70 PolarHBondContact O-N 2.89Å |
| 71 | V | 95.3 | Very high | 96.1 | Very high | 9 Ų | 9 | 57.5 Ų | 57.5 | 6% | 0.055 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -121.2 | 29.1 | 179.3 | -68.8 | 0 | 0 | 0 | 0 | 111.6 | I25 V28 R68 M69 K73 E74 Y75 | I25-V71 HydrophobicContact CG1-CG2 4.39Å; V28-V71 HydrophobicContact CB-CG1 4.04Å; V28-V71 HydrophobicContact CB-CG2 4.44Å; V28-V71 HydrophobicContact CG1-CG1 4.18Å; V28-V71 HydrophobicContact CG1-CG2 4.23Å; V28-V71 HydrophobicContact CG2-CG1 3.61Å; R68-V71 CarbonylContact O-C 3.3Å; R68-V71 VanDerWaalsContact O-C 3.3Å; R68-V71 PolarHBondContact O-N 3.43Å; M69-V71 VanDerWaalsContact C-N 3.26Å; M69-V71 PolarHBondContact O-N 2.83Å; V71-K73 VanDerWaalsContact C-N 3.28Å; V71-K73 PolarHBondContact O-N 2.76Å; V71-E74 WeakPolarHBondContact CA-OE2 3.02Å; V71-E74 HydrophobicContact CB-CB 4.34Å; V71-E74 WeakPolarHBondContact O-CB 3.24Å; V71-E74 PolarHBondContact O-N 2.93Å; V71-E74 VanDerWaalsContact O-N 3.14Å; V71-Y75 HydrophobicContact CG2-CD2 4.02Å; V71-Y75 HydrophobicContact CG2-CE2 3.69Å; V71-Y75 WeakPolarHBondContact O-CD2 3.49Å; V71-Y75 PolarHBondContact O-N 2.94Å |
| 72 | R | 95.7 | Very high | 96.1 | Very high | 143 Ų | 143 | 59.7 Ų | 59.7 | 54% | 0.54 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59.7 | -40.3 | -175.4 | -178.3 | 176.6 | 176.8 | -166.5 | 2.9 | 112 | R68 M69 E74 Y75 D76 | R68-R72 PolarHBondContact O-N 3.18Å; M69-R72 PolarHBondContact O-N 2.84Å; R72-E74 VanDerWaalsContact C-N 3.26Å; R72-E74 PolarHBondContact O-N 3.46Å; R72-Y75 PolarHBondContact O-N 3.27Å; R72-D76 VanDerWaalsContact O-CG 3.28Å; R72-D76 PolarHBondContact O-N 2.92Å |
| 73 | K | 95.1 | Very high | 96 | Very high | 71 Ų | 71 | 58.5 Ų | 58.5 | 31% | 0.309 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.6 | -36.5 | 179.8 | -176.9 | 170.8 | 176.9 | 170.5 | 0 | 111.2 | V71 D76 L77 E119 E120 | V71-K73 VanDerWaalsContact C-N 3.28Å; V71-K73 PolarHBondContact O-N 2.76Å; K73-D76 PolarHBondContact O-N 3.41Å; K73-L77 HydrophobicContact CG-CD1 4.39Å; K73-L77 WeakPolarHBondContact O-CB 3.02Å; K73-L77 WeakPolarHBondContact O-CG 3.2Å; K73-L77 PolarHBondContact O-N 3.44Å; K73-E119 IonicContact NZ-OE2 3.16Å; K73-E119 PolarHBondContact NZ-OE2 3.38Å; K73-E120 IonicContact NZ-OE1 3.63Å; K73-E120 PolarHBondContact NZ-OE1 3.16Å |
| 74 | E | 97.2 | Very high | 96 | Very high | 50 Ų | 50 | 57.8 Ų | 57.8 | 23% | 0.234 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.8 | -43.4 | 176.1 | -68.2 | 81 | 169.4 | 0 | 0 | 111.3 | L21 I25 V71 R72 L77 V78 | L21-E74 HydrophobicContact CD2-CB 3.7Å; L21-E74 HydrophobicContact CD2-CG 3.71Å; I25-E74 HydrophobicContact CD1-CB 4.01Å; I25-E74 HydrophobicContact CG1-CB 3.89Å; V71-E74 WeakPolarHBondContact CA-OE2 3.02Å; V71-E74 HydrophobicContact CB-CB 4.34Å; V71-E74 WeakPolarHBondContact O-CB 3.24Å; V71-E74 PolarHBondContact O-N 2.93Å; V71-E74 VanDerWaalsContact O-N 3.14Å; R72-E74 VanDerWaalsContact C-N 3.26Å; R72-E74 PolarHBondContact O-N 3.46Å; E74-L77 PolarHBondContact O-N 3.09Å; E74-V78 WeakPolarHBondContact O-CG2 3.39Å; E74-V78 PolarHBondContact O-N 3.28Å |
| 75 | Y | 97 | Very high | 95.9 | Very high | 67 Ų | 67 | 64.3 Ų | 64.3 | 26% | 0.263 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.5 | -46.2 | 172.8 | -80.9 | -72.9 | 0 | 0 | 0 | 112.4 | I25 E29 R68 V71 R72 L77 V78 E79 | I25-Y75 HydrophobicContact CD1-CD1 4.01Å; I25-Y75 HydrophobicContact CD1-CD2 4.39Å; I25-Y75 HydrophobicContact CD1-CE1 4.1Å; I25-Y75 HydrophobicContact CD1-CE2 4.47Å; I25-Y75 HydrophobicContact CD1-CG 4.17Å; I25-Y75 HydrophobicContact CG1-CD2 4.48Å; I25-Y75 HydrophobicContact CG1-CE2 4.29Å; I25-Y75 HydrophobicContact CG2-CE1 3.89Å; I25-Y75 HydrophobicContact CG2-CE2 3.94Å; I25-Y75 WeakPolarHBondContact CG2-OH 3.28Å; E29-Y75 PolarHBondContact OE1-OH 3.41Å; R68-Y75 HydrophobicContact CB-CD2 4.4Å; R68-Y75 HydrophobicContact CB-CE2 3.79Å; R68-Y75 HydrophobicContact CG-CE2 3.72Å; V71-Y75 HydrophobicContact CG2-CD2 4.02Å; V71-Y75 HydrophobicContact CG2-CE2 3.69Å; V71-Y75 WeakPolarHBondContact O-CD2 3.49Å; V71-Y75 PolarHBondContact O-N 2.94Å; R72-Y75 PolarHBondContact O-N 3.27Å; Y75-L77 VanDerWaalsContact C-N 3.26Å; Y75-L77 PolarHBondContact O-N 3.43Å; Y75-V78 PolarHBondContact O-N 3.04Å; Y75-V78 VanDerWaalsContact O-N 3.16Å; Y75-E79 PolarHBondContact O-N 3.46Å |
| 76 | D | 97.1 | Very high | 95.9 | Very high | 52 Ų | 52 | 65.7 Ų | 65.7 | 28% | 0.278 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -58.5 | -41.8 | 177.9 | -64.3 | -20.3 | 0 | 0 | 0 | 110.3 | R72 K73 E79 E80 N116 | R72-D76 VanDerWaalsContact O-CG 3.28Å; R72-D76 PolarHBondContact O-N 2.92Å; K73-D76 PolarHBondContact O-N 3.41Å; D76-E79 PolarHBondContact O-N 3.27Å; D76-E80 VanDerWaalsContact O-CG 3.3Å; D76-E80 WeakPolarHBondContact O-CG 3.46Å; D76-E80 PolarHBondContact O-N 3.12Å; D76-N116 WeakPolarHBondContact CB-ND2 3.33Å |
| 77 | L | 97.6 | Very high | 96 | Very high | 13 Ų | 13 | 62.3 Ų | 62.3 | 7% | 0.068 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.7 | -41.9 | 175.4 | -83 | 167.3 | 0 | 0 | 0 | 113.2 | L21 K73 E74 Y75 E79 E80 L81 N116 L117 E120 | L21-L77 HydrophobicContact CD1-CB 3.81Å; L21-L77 HydrophobicContact CD2-CB 4.29Å; L21-L77 HydrophobicContact CD2-CD1 4.27Å; K73-L77 HydrophobicContact CG-CD1 4.39Å; K73-L77 WeakPolarHBondContact O-CB 3.02Å; K73-L77 WeakPolarHBondContact O-CG 3.2Å; K73-L77 PolarHBondContact O-N 3.44Å; E74-L77 PolarHBondContact O-N 3.09Å; Y75-L77 VanDerWaalsContact C-N 3.26Å; Y75-L77 PolarHBondContact O-N 3.43Å; L77-E79 VanDerWaalsContact C-N 3.33Å; L77-E80 PolarHBondContact O-N 2.88Å; L77-L81 WeakPolarHBondContact O-CB 3.34Å; L77-L81 WeakPolarHBondContact O-CD1 3.42Å; L77-L81 VanDerWaalsContact O-CG 3.24Å; L77-L81 WeakPolarHBondContact O-CG 3.47Å; L77-L81 PolarHBondContact O-N 3.15Å; L77-N116 HydrophobicContact CD2-CB 3.51Å; L77-N116 HydrophobicContact CG-CB 3.82Å; L77-L117 HydrophobicContact CD2-CD2 3.83Å; L77-L117 HydrophobicContact CD2-CG 4.2Å; L77-E120 HydrophobicContact CD1-CG 4.39Å; L77-E120 HydrophobicContact CD2-CG 4.07Å |
| 78 | V | 98 | Very high | 96.2 | Very high | 9 Ų | 9 | 63.2 Ų | 63.2 | 6% | 0.055 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.8 | -48.3 | 174.8 | 168.8 | 0 | 0 | 0 | 0 | 110 | L18 L21 Y22 I25 E74 Y75 E80 L81 E82 | L18-V78 HydrophobicContact CD2-CB 4.46Å; L18-V78 HydrophobicContact CD2-CG1 4.18Å; L18-V78 HydrophobicContact CD2-CG2 4.32Å; L21-V78 HydrophobicContact CB-CG2 3.65Å; L21-V78 HydrophobicContact CD1-CG2 3.93Å; L21-V78 HydrophobicContact CG-CG2 4.34Å; Y22-V78 HydrophobicContact CE1-CG1 3.8Å; Y22-V78 HydrophobicContact CE1-CG2 4.36Å; I25-V78 HydrophobicContact CD1-CG2 3.98Å; E74-V78 WeakPolarHBondContact O-CG2 3.39Å; E74-V78 PolarHBondContact O-N 3.28Å; Y75-V78 PolarHBondContact O-N 3.04Å; Y75-V78 VanDerWaalsContact O-N 3.16Å; V78-E80 VanDerWaalsContact C-N 3.31Å; V78-E80 PolarHBondContact O-N 3.42Å; V78-L81 PolarHBondContact O-N 3.49Å; V78-L81 VanDerWaalsContact O-N 3.16Å; V78-E82 HydrophobicContact CG1-CG 4.28Å; V78-E82 WeakPolarHBondContact CG1-OE1 3.44Å; V78-E82 WeakPolarHBondContact O-CG 3.28Å; V78-E82 PolarHBondContact O-N 3.08Å |
| 79 | E | 97.1 | Very high | 96.3 | Very high | 91 Ų | 91 | 65.4 Ų | 65.4 | 43% | 0.425 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.8 | -36.1 | -179.6 | -153.9 | -161.3 | 170 | 0 | 0 | 112 | Y75 D76 L77 R83 | Y75-E79 PolarHBondContact O-N 3.46Å; D76-E79 PolarHBondContact O-N 3.27Å; L77-E79 VanDerWaalsContact C-N 3.33Å; E79-R83 VanDerWaalsContact CD-NH1 3.27Å; E79-R83 VanDerWaalsContact CG-CZ 3.45Å; E79-R83 VanDerWaalsContact O-CG 3.31Å; E79-R83 WeakPolarHBondContact O-CG 3.19Å; E79-R83 PolarHBondContact O-N 3.22Å; E79-R83 PolarHBondContact O-NE 3.13Å; E79-R83 IonicContact OE1-CZ 2.68Å; E79-R83 IonicContact OE1-NH1 3.94Å; E79-R83 PolarHBondContact OE1-NH1 3.46Å; E79-R83 IonicContact OE1-NH2 2.84Å; E79-R83 PolarHBondContact OE1-NH2 2.77Å; E79-R83 VanDerWaalsContact OE1-NH2 3.16Å; E79-R83 IonicContact OE2-CZ 3.88Å; E79-R83 IonicContact OE2-NH1 2.76Å; E79-R83 IonicContact OE2-NH2 2.7Å; E79-R83 PolarHBondContact OE2-NH2 2.65Å |
| 80 | E | 98 | Very high | 96.4 | Very high | 11 Ų | 11 | 63.1 Ų | 63.1 | 5% | 0.051 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -66.3 | -44.1 | 172.6 | -72.2 | -172.4 | -160.5 | 0 | 0 | 112.1 | D76 L77 V78 R83 K84 Y113 F114 K115 N116 L117 | D76-E80 VanDerWaalsContact O-CG 3.3Å; D76-E80 WeakPolarHBondContact O-CG 3.46Å; D76-E80 PolarHBondContact O-N 3.12Å; L77-E80 PolarHBondContact O-N 2.88Å; V78-E80 VanDerWaalsContact C-N 3.31Å; V78-E80 PolarHBondContact O-N 3.42Å; E80-R83 PolarHBondContact O-N 3.13Å; E80-K84 PolarHBondContact O-N 2.69Å; E80-Y113 VanDerWaalsContact CG-O 3.3Å; E80-Y113 WeakPolarHBondContact CG-O 3.35Å; E80-F114 HydrophobicContact CB-CD1 4.36Å; E80-F114 WeakPolarHBondContact O-CE1 3.45Å; E80-F114 VanDerWaalsContact OE2-CA 3.26Å; E80-F114 WeakPolarHBondContact OE2-CA 3.4Å; E80-K115 PolarHBondContact OE1-N 3Å; E80-K115 PolarHBondContact OE2-N 3.37Å; E80-N116 WeakPolarHBondContact OE1-CB 3.41Å; E80-N116 PolarHBondContact OE1-N 3.47Å; E80-N116 PolarHBondContact OE1-ND2 3.03Å; E80-N116 PolarHBondContact OE2-N 2.71Å; E80-N116 VanDerWaalsContact OE2-N 3.09Å; E80-L117 HydrophobicContact CB-CD1 3.86Å; E80-L117 HydrophobicContact CB-CG 4.02Å; E80-L117 WeakPolarHBondContact OE2-CG 3.46Å; E80-L117 PolarHBondContact OE2-N 3.05Å |
| 81 | L | 97.9 | Very high | 96.6 | Very high | 10 Ų | 10 | 59.4 Ų | 59.4 | 5% | 0.052 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.7 | -44.8 | 179.8 | -74.9 | 164.4 | 0 | 0 | 0 | 112.1 | D14 M17 L18 L21 L77 V78 R83 K84 L117 | D14-L81 HydrophobicContact CB-CD2 3.87Å; D14-L81 WeakPolarHBondContact OD1-CD2 3Å; M17-L81 HydrophobicContact CB-CD1 4.29Å; M17-L81 HydrophobicContact CG-CD1 3.88Å; M17-L81 HydrophobicContact SD-CD1 3.97Å; M17-L81 HydrophobicContact SD-CD2 4.5Å; L18-L81 HydrophobicContact CD1-CB 4.43Å; L18-L81 HydrophobicContact CD2-CB 3.72Å; L18-L81 HydrophobicContact CD2-CD1 3.82Å; L18-L81 HydrophobicContact CD2-CG 4.41Å; L18-L81 HydrophobicContact CG-CB 4.05Å; L18-L81 HydrophobicContact CG-CD1 3.92Å; L21-L81 HydrophobicContact CD1-CD1 3.57Å; L77-L81 WeakPolarHBondContact O-CB 3.34Å; L77-L81 WeakPolarHBondContact O-CD1 3.42Å; L77-L81 VanDerWaalsContact O-CG 3.24Å; L77-L81 WeakPolarHBondContact O-CG 3.47Å; L77-L81 PolarHBondContact O-N 3.15Å; V78-L81 PolarHBondContact O-N 3.49Å; V78-L81 VanDerWaalsContact O-N 3.16Å; L81-R83 PolarHBondContact O-N 2.82Å; L81-K84 HydrophobicContact CD2-CD 3.93Å; L81-K84 WeakPolarHBondContact O-CB 3.47Å; L81-K84 PolarHBondContact O-N 2.88Å; L81-K84 VanDerWaalsContact O-N 3.14Å; L81-L117 HydrophobicContact CD2-CD1 4.09Å; L81-L117 HydrophobicContact CD2-CD2 3.74Å; L81-L117 HydrophobicContact CG-CD1 4.33Å; L81-L117 HydrophobicContact CG-CD2 4.01Å |
| 82 | E | 95.9 | Very high | 96.6 | Very high | 106 Ų | 106 | 59.9 Ų | 59.9 | 50% | 0.495 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.7 | -32.8 | 178.5 | -73.2 | 176.7 | 175.1 | 0 | 0 | 112 | Y22 V78 K84 | Y22-E82 PolarHBondContact OH-OE1 3.22Å; V78-E82 HydrophobicContact CG1-CG 4.28Å; V78-E82 WeakPolarHBondContact CG1-OE1 3.44Å; V78-E82 WeakPolarHBondContact O-CG 3.28Å; V78-E82 PolarHBondContact O-N 3.08Å; E82-K84 VanDerWaalsContact C-N 3.34Å; E82-K84 PolarHBondContact O-N 3.01Å |
| 83 | R | 96 | Very high | 96.7 | Very high | 75 Ų | 75 | 57 Ų | 57 | 28% | 0.283 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -77.9 | -14.1 | 178.2 | -73.9 | -175.5 | -80.2 | -144 | 4.4 | 114.1 | E79 E80 L81 E85 D86 Y87 F114 | E79-R83 VanDerWaalsContact CD-NH1 3.27Å; E79-R83 VanDerWaalsContact CG-CZ 3.45Å; E79-R83 VanDerWaalsContact O-CG 3.31Å; E79-R83 WeakPolarHBondContact O-CG 3.19Å; E79-R83 PolarHBondContact O-N 3.22Å; E79-R83 PolarHBondContact O-NE 3.13Å; E79-R83 IonicContact OE1-CZ 2.68Å; E79-R83 IonicContact OE1-NH1 3.94Å; E79-R83 PolarHBondContact OE1-NH1 3.46Å; E79-R83 IonicContact OE1-NH2 2.84Å; E79-R83 PolarHBondContact OE1-NH2 2.77Å; E79-R83 VanDerWaalsContact OE1-NH2 3.16Å; E79-R83 IonicContact OE2-CZ 3.88Å; E79-R83 IonicContact OE2-NH1 2.76Å; E79-R83 IonicContact OE2-NH2 2.7Å; E79-R83 PolarHBondContact OE2-NH2 2.65Å; E80-R83 PolarHBondContact O-N 3.13Å; L81-R83 PolarHBondContact O-N 2.82Å; R83-E85 VanDerWaalsContact C-N 3.25Å; R83-E85 PolarHBondContact O-N 3.37Å; R83-D86 PolarHBondContact O-N 2.83Å; R83-Y87 HydrophobicContact CB-CD2 4.09Å; R83-Y87 HydrophobicContact CB-CE2 4.18Å; R83-Y87 WeakPolarHBondContact O-CD2 3.28Å; R83-Y87 PolarHBondContact O-N 3.27Å; R83-F114 HydrophobicContact CB-CE1 4.42Å; R83-F114 HydrophobicContact CB-CZ 4.42Å |
| 84 | K | 96.5 | Very high | 96.8 | Very high | 3 Ų | 3 | 55.3 Ų | 55.3 | 1% | 0.013 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -55.8 | -39.5 | -175.9 | -76.5 | 179.8 | 63.8 | 154.6 | 0 | 112.9 | I7 L8 K9 P10 D14 E80 L81 E82 W88 F114 L117 | I7-K84 WeakPolarHBondContact O-CE 3.24Å; I7-K84 PolarHBondContact O-NZ 3.1Å; L8-K84 VanDerWaalsContact C-CE 3.44Å; L8-K84 WeakPolarHBondContact O-CB 3.49Å; L8-K84 WeakPolarHBondContact O-CE 3.45Å; K9-K84 VanDerWaalsContact O-CE 3.28Å; K9-K84 WeakPolarHBondContact O-CE 3.47Å; K9-K84 PolarHBondContact O-NZ 3.5Å; K9-K84 VanDerWaalsContact O-NZ 3.13Å; P10-K84 HydrophobicContact CG-CB 4.17Å; D14-K84 IonicContact OD1-NZ 3.32Å; D14-K84 PolarHBondContact OD1-NZ 3.4Å; D14-K84 WeakPolarHBondContact OD2-CE 3.43Å; D14-K84 IonicContact OD2-NZ 3.2Å; D14-K84 PolarHBondContact OD2-NZ 3.12Å; E80-K84 PolarHBondContact O-N 2.69Å; L81-K84 HydrophobicContact CD2-CD 3.93Å; L81-K84 WeakPolarHBondContact O-CB 3.47Å; L81-K84 PolarHBondContact O-N 2.88Å; L81-K84 VanDerWaalsContact O-N 3.14Å; E82-K84 VanDerWaalsContact C-N 3.34Å; E82-K84 PolarHBondContact O-N 3.01Å; K84-W88 WeakPolarHBondContact O-CB 3.38Å; K84-W88 PolarHBondContact O-N 3.34Å; K84-F114 HydrophobicContact CG-CE1 4.11Å; K84-L117 HydrophobicContact CD-CD1 3.84Å; K84-L117 HydrophobicContact CG-CD1 4.15Å |
| 85 | E | 94.3 | Very high | 96.8 | Very high | 144 Ų | 144 | 56 Ų | 56 | 67% | 0.673 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -59.5 | -51.4 | -176.1 | -174.2 | 168.8 | -169.4 | 0 | 0 | 111.9 | P10 R83 W88 K89 | P10-E85 HydrophobicContact CG-CB 4.34Å; R83-E85 VanDerWaalsContact C-N 3.25Å; R83-E85 PolarHBondContact O-N 3.37Å; E85-W88 PolarHBondContact O-N 2.92Å; E85-K89 WeakPolarHBondContact O-CB 3.3Å; E85-K89 PolarHBondContact O-N 3.48Å |
| 86 | D | 95.5 | Very high | 96.7 | Very high | 108 Ų | 108 | 58.2 Ų | 58.2 | 58% | 0.578 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -63.6 | -47.3 | -178.5 | -69.8 | -27.9 | 0 | 0 | 0 | 112.1 | R83 K89 N90 | R83-D86 PolarHBondContact O-N 2.83Å; D86-K89 PolarHBondContact O-N 3.21Å; D86-N90 PolarHBondContact O-N 2.88Å; D86-N90 PolarHBondContact O-ND2 3.18Å |
| 87 | Y | 97.4 | Very high | 96.7 | Very high | 57 Ų | 57 | 63.3 Ų | 63.3 | 22% | 0.224 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -72.7 | -32.5 | -178.1 | -77.3 | -86.4 | 0 | 0 | 0 | 112.5 | R83 M91 Y106 I110 F114 | R83-Y87 HydrophobicContact CB-CD2 4.09Å; R83-Y87 HydrophobicContact CB-CE2 4.18Å; R83-Y87 WeakPolarHBondContact O-CD2 3.28Å; R83-Y87 PolarHBondContact O-N 3.27Å; Y87-M91 WeakPolarHBondContact O-CB 3.49Å; Y87-M91 PolarHBondContact O-N 3.32Å; Y87-Y106 VanDerWaalsContact CD1-OH 3.27Å; Y87-Y106 WeakPolarHBondContact CD1-OH 3.49Å; Y87-I110 HydrophobicContact CD1-CB 4.07Å; Y87-I110 HydrophobicContact CD1-CD1 3.52Å; Y87-I110 HydrophobicContact CD1-CG1 4.39Å; Y87-I110 HydrophobicContact CD1-CG2 3.94Å; Y87-I110 HydrophobicContact CE1-CB 4.05Å; Y87-I110 HydrophobicContact CE1-CD1 4.37Å; Y87-I110 HydrophobicContact CE1-CG2 3.77Å; Y87-I110 HydrophobicContact CG-CD1 4.14Å; Y87-F114 HydrophobicContact CD1-CE2 4.19Å; Y87-F114 HydrophobicContact CD2-CE2 4.03Å; Y87-F114 AromaticContact CD2-CZ 3.59Å; Y87-F114 HydrophobicContact CD2-CZ 3.59Å; Y87-F114 HydrophobicContact CE2-CZ 4.26Å; Y87-F114 AromaticContact CG-CE2 3.84Å; Y87-F114 HydrophobicContact CG-CE2 3.84Å; Y87-F114 AromaticContact CG-CZ 3.71Å; Y87-F114 HydrophobicContact CG-CZ 3.71Å |
| 88 | W | 97.3 | Very high | 96.7 | Very high | 38 Ų | 38 | 68.9 Ų | 68.9 | 14% | 0.144 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -67.3 | -39.7 | 173.8 | 176.3 | -110.9 | 0 | 0 | 0 | 111.8 | Q5 L8 K9 K84 E85 M91 A92 | Q5-W88 HydrophobicContact CB-CH2 4.46Å; Q5-W88 HydrophobicContact CG-CH2 3.77Å; Q5-W88 HydrophobicContact CG-CZ3 3.99Å; L8-W88 HydrophobicContact CB-CE3 4.35Å; L8-W88 HydrophobicContact CD2-CE3 4.42Å; L8-W88 HydrophobicContact CG-CB 4.29Å; L8-W88 HydrophobicContact CG-CE3 4.38Å; K9-W88 HydrophobicContact CB-CD2 3.81Å; K9-W88 HydrophobicContact CB-CE3 3.98Å; K9-W88 HydrophobicContact CB-CG 4.35Å; K9-W88 HydrophobicContact CB-CH2 4.28Å; K9-W88 HydrophobicContact CB-CZ2 4.12Å; K9-W88 HydrophobicContact CB-CZ3 4.21Å; K9-W88 HydrophobicContact CD-CH2 4.38Å; K9-W88 HydrophobicContact CD-CZ2 3.81Å; K9-W88 HydrophobicContact CG-CD2 4.02Å; K9-W88 HydrophobicContact CG-CG 4.39Å; K9-W88 HydrophobicContact CG-CZ2 3.89Å; K84-W88 WeakPolarHBondContact O-CB 3.38Å; K84-W88 PolarHBondContact O-N 3.34Å; E85-W88 PolarHBondContact O-N 2.92Å; W88-M91 HydrophobicContact CE3-CB 4.37Å; W88-M91 HydrophobicContact CE3-SD 4.02Å; W88-M91 HydrophobicContact CZ3-SD 3.74Å; W88-M91 PolarHBondContact O-N 3.28Å; W88-A92 WeakPolarHBondContact O-CB 3.43Å; W88-A92 PolarHBondContact O-N 2.78Å |
| 89 | K | 97 | Very high | 96.6 | Very high | 124 Ų | 124 | 69.9 Ų | 69.9 | 54% | 0.539 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -56.7 | -52.3 | 174.4 | -179.1 | -177.9 | 171.5 | -173.6 | 0 | 110.9 | E85 D86 M91 A92 E93 | E85-K89 WeakPolarHBondContact O-CB 3.3Å; E85-K89 PolarHBondContact O-N 3.48Å; D86-K89 PolarHBondContact O-N 3.21Å; K89-M91 VanDerWaalsContact C-N 3.32Å; K89-M91 PolarHBondContact O-N 3.04Å; K89-A92 PolarHBondContact O-N 3.46Å; K89-A92 VanDerWaalsContact O-N 3.16Å; K89-E93 WeakPolarHBondContact CE-OE1 3.48Å; K89-E93 WeakPolarHBondContact O-CG 3.44Å; K89-E93 PolarHBondContact O-N 3.34Å |
| 90 | N | 96.5 | Very high | 96.4 | Very high | 64 Ų | 64 | 69.1 Ų | 69.1 | 34% | 0.342 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -58.5 | -43.5 | 176.8 | -65.1 | -23.8 | 0 | 0 | 0 | 111.9 | D86 A92 E93 I94 Y106 | D86-N90 PolarHBondContact O-N 2.88Å; D86-N90 PolarHBondContact O-ND2 3.18Å; N90-A92 VanDerWaalsContact C-N 3.33Å; N90-A92 PolarHBondContact O-N 2.87Å; N90-E93 PolarHBondContact O-N 3.46Å; N90-I94 VanDerWaalsContact O-CG1 3.26Å; N90-I94 WeakPolarHBondContact O-CG1 3.46Å; N90-I94 PolarHBondContact O-N 2.7Å; N90-Y106 HydrophobicContact CB-CE1 3.96Å; N90-Y106 VanDerWaalsContact CB-OH 3.32Å; N90-Y106 WeakPolarHBondContact CB-OH 3.07Å; N90-Y106 PolarHBondContact ND2-OH 3.2Å |
| 91 | M | 96.2 | Very high | 96.3 | Very high | 2 Ų | 2 | 74.9 Ų | 74.9 | 1% | 0.01 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -63.7 | -39.2 | 178.6 | -165.9 | -167 | -170.2 | 0 | 0 | 112.1 | M1 I4 L8 Y87 W88 K89 R95 A103 Y106 W107 | M1-M91 HydrophobicContact CE-CE 3.67Å; M1-M91 HydrophobicContact SD-CE 4.26Å; I4-M91 HydrophobicContact CB-CE 4Å; I4-M91 HydrophobicContact CD1-CE 3.91Å; I4-M91 HydrophobicContact CG2-CE 3.32Å; I4-M91 HydrophobicContact CG2-SD 3.55Å; I4-M91 VanDerWaalsContact CG2-SD 3.55Å; L8-M91 HydrophobicContact CD2-CB 4.03Å; L8-M91 HydrophobicContact CD2-CG 4.38Å; L8-M91 HydrophobicContact CD2-SD 3.74Å; Y87-M91 WeakPolarHBondContact O-CB 3.49Å; Y87-M91 PolarHBondContact O-N 3.32Å; W88-M91 HydrophobicContact CE3-CB 4.37Å; W88-M91 HydrophobicContact CE3-SD 4.02Å; W88-M91 HydrophobicContact CZ3-SD 3.74Å; W88-M91 PolarHBondContact O-N 3.28Å; K89-M91 VanDerWaalsContact C-N 3.32Å; K89-M91 PolarHBondContact O-N 3.04Å; M91-R95 VanDerWaalsContact O-CB 3.31Å; M91-R95 WeakPolarHBondContact O-CB 3.15Å; M91-R95 PolarHBondContact O-N 3.41Å; M91-A103 HydrophobicContact CE-CB 4.28Å; M91-A103 WeakPolarHBondContact CE-O 3.31Å; M91-A103 HydrophobicContact CG-CB 4.3Å; M91-Y106 HydrophobicContact CB-CD1 4.08Å; M91-Y106 HydrophobicContact CB-CE1 4.1Å; M91-Y106 HydrophobicContact CG-CD1 4.24Å; M91-W107 HydrophobicContact CE-CB 4.08Å |
| 92 | A | 96.1 | Very high | 96.3 | Very high | 19 Ų | 19 | 77.4 Ų | 77.4 | 16% | 0.157 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -67.3 | -44.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | W88 K89 N90 R95 D96 | W88-A92 WeakPolarHBondContact O-CB 3.43Å; W88-A92 PolarHBondContact O-N 2.78Å; K89-A92 PolarHBondContact O-N 3.46Å; K89-A92 VanDerWaalsContact O-N 3.16Å; N90-A92 VanDerWaalsContact C-N 3.33Å; N90-A92 PolarHBondContact O-N 2.87Å; A92-R95 PolarHBondContact O-N 3.04Å; A92-D96 WeakPolarHBondContact O-CB 3.33Å; A92-D96 PolarHBondContact O-N 3.38Å |
| 93 | E | 97.1 | Very high | 96.4 | Very high | 83 Ų | 83 | 72.4 Ų | 72.4 | 39% | 0.388 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -59.5 | -50.1 | 175.5 | -72.2 | 174.1 | -173.2 | 0 | 0 | 111.2 | K89 N90 R95 D96 E97 | K89-E93 WeakPolarHBondContact CE-OE1 3.48Å; K89-E93 WeakPolarHBondContact O-CG 3.44Å; K89-E93 PolarHBondContact O-N 3.34Å; N90-E93 PolarHBondContact O-N 3.46Å; E93-R95 VanDerWaalsContact C-N 3.3Å; E93-R95 PolarHBondContact O-N 3.3Å; E93-D96 PolarHBondContact O-N 2.9Å; E93-E97 WeakPolarHBondContact O-CB 3.22Å; E93-E97 WeakPolarHBondContact O-CG 3.39Å; E93-E97 PolarHBondContact O-N 3Å |
| 94 | I | 97.5 | Very high | 96.3 | Very high | 35 Ų | 35 | 70.7 Ų | 70.7 | 18% | 0.179 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -59.3 | -41.7 | 177.3 | -66.9 | 165.5 | 0 | 0 | 0 | 111.4 | N90 D96 M98 S99 D102 A103 Y106 | N90-I94 VanDerWaalsContact O-CG1 3.26Å; N90-I94 WeakPolarHBondContact O-CG1 3.46Å; N90-I94 PolarHBondContact O-N 2.7Å; I94-D96 VanDerWaalsContact C-N 3.33Å; I94-D96 PolarHBondContact O-N 3.4Å; I94-M98 HydrophobicContact CG2-CB 4.46Å; I94-M98 HydrophobicContact CG2-SD 4.15Å; I94-M98 WeakPolarHBondContact O-CA 3.34Å; I94-M98 VanDerWaalsContact O-CB 3.27Å; I94-M98 WeakPolarHBondContact O-CB 3.39Å; I94-M98 PolarHBondContact O-N 3.17Å; I94-S99 PolarHBondContact O-N 3.25Å; I94-D102 HydrophobicContact CG2-CB 3.75Å; I94-A103 HydrophobicContact CG2-CB 4.14Å; I94-Y106 HydrophobicContact CD1-CD1 3.87Å; I94-Y106 HydrophobicContact CD1-CD2 3.66Å; I94-Y106 HydrophobicContact CD1-CE1 4.34Å; I94-Y106 HydrophobicContact CD1-CE2 4.17Å; I94-Y106 HydrophobicContact CD1-CG 3.49Å; I94-Y106 VanDerWaalsContact CD1-CG 3.49Å |
| 95 | R | 95.6 | Very high | 96.3 | Very high | 65 Ų | 65 | 76.4 Ų | 76.4 | 25% | 0.245 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -63.7 | -41.3 | 179.5 | -175.9 | -165.7 | 67.2 | -141 | -4.2 | 111.8 | M91 A92 E93 A103 | M91-R95 VanDerWaalsContact O-CB 3.31Å; M91-R95 WeakPolarHBondContact O-CB 3.15Å; M91-R95 PolarHBondContact O-N 3.41Å; A92-R95 PolarHBondContact O-N 3.04Å; E93-R95 VanDerWaalsContact C-N 3.3Å; E93-R95 PolarHBondContact O-N 3.3Å; R95-A103 HydrophobicContact CB-CB 3.75Å; R95-A103 HydrophobicContact CG-CB 4.38Å |
| 96 | D | 95.8 | Very high | 96.5 | Very high | 114 Ų | 114 | 71.3 Ų | 71.3 | 61% | 0.61 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -85.5 | -33 | -171.8 | -64.3 | -11.4 | 0 | 0 | 0 | 111.8 | A92 E93 I94 | A92-D96 WeakPolarHBondContact O-CB 3.33Å; A92-D96 PolarHBondContact O-N 3.38Å; E93-D96 PolarHBondContact O-N 2.9Å; I94-D96 VanDerWaalsContact C-N 3.33Å; I94-D96 PolarHBondContact O-N 3.4Å |
| 97 | E | 97.3 | Very high | 96.5 | Very high | 158 Ų | 158 | 67 Ų | 67 | 74% | 0.738 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -93.4 | -26.6 | -179.5 | -62.7 | -173.7 | 178.3 | 0 | 0 | 114.3 | E93 | E93-E97 WeakPolarHBondContact O-CB 3.22Å; E93-E97 WeakPolarHBondContact O-CG 3.39Å; E93-E97 PolarHBondContact O-N 3Å |
| 98 | M | 96.7 | Very high | 96.5 | Very high | 130 Ų | 130 | 66.7 Ų | 66.7 | 64% | 0.64 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.3 | -84.3 | -178.6 | -53.5 | -178.6 | 179.4 | 0 | 0 | 111.3 | I94 D102 | I94-M98 HydrophobicContact CG2-CB 4.46Å; I94-M98 HydrophobicContact CG2-SD 4.15Å; I94-M98 WeakPolarHBondContact O-CA 3.34Å; I94-M98 VanDerWaalsContact O-CB 3.27Å; I94-M98 WeakPolarHBondContact O-CB 3.39Å; I94-M98 PolarHBondContact O-N 3.17Å; M98-D102 HydrophobicContact CB-CB 4.02Å; M98-D102 WeakPolarHBondContact CB-OD2 3.27Å; M98-D102 HydrophobicContact SD-CB 4.49Å |
| 99 | S | 95.8 | Very high | 96.4 | Very high | 30 Ų | 30 | 70.8 Ų | 70.8 | 21% | 0.21 | 37% | 0.372 | C | S | . | . | trans | -166.9 | 163.5 | 175.1 | 80.1 | 0 | 0 | 0 | 0 | 112.6 | I94 N101 D102 A103 | I94-S99 PolarHBondContact O-N 3.25Å; S99-N101 PolarHBondContact O-N 2.82Å; S99-N101 PolarHBondContact OG-N 2.99Å; S99-D102 VanDerWaalsContact CB-OD2 3.26Å; S99-D102 WeakPolarHBondContact CB-OD2 3.4Å; S99-D102 PolarHBondContact N-OD2 3.43Å; S99-D102 PolarHBondContact O-N 3.18Å; S99-D102 VanDerWaalsContact OG-CG 3.27Å; S99-D102 PolarHBondContact OG-N 3.47Å; S99-D102 VanDerWaalsContact OG-N 3.07Å; S99-D102 PolarHBondContact OG-OD2 3.32Å; S99-A103 PolarHBondContact O-N 3.37Å; S99-A103 VanDerWaalsContact O-N 3.08Å | ||
| 100 | P | 94.5 | Very high | 96.4 | Very high | 75 Ų | 75 | 65.3 Ų | 65.3 | 49% | 0.487 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -59.2 | -27.4 | 168.9 | -25.6 | 35.4 | 0 | 0 | 0 | 114.4 | A104 | P100-A104 PolarHBondContact O-N 3.22Å; P100-A104 VanDerWaalsContact O-N 3.13Å |
| 101 | N | 95.9 | Very high | 96.4 | Very high | 133 Ų | 133 | 67.6 Ų | 67.6 | 71% | 0.711 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -75.1 | -43.2 | 178.5 | -73.9 | -14.5 | 0 | 0 | 0 | 110.8 | S99 A103 A104 E105 | S99-N101 PolarHBondContact O-N 2.82Å; S99-N101 PolarHBondContact OG-N 2.99Å; N101-A103 VanDerWaalsContact C-N 3.28Å; N101-A103 PolarHBondContact O-N 2.95Å; N101-A104 WeakPolarHBondContact O-CA 3.26Å; N101-A104 WeakPolarHBondContact O-CB 3.46Å; N101-A104 PolarHBondContact O-N 3.31Å; N101-E105 PolarHBondContact O-N 2.94Å |
| 102 | D | 97.6 | Very high | 96.4 | Very high | 63 Ų | 63 | 73.4 Ų | 73.4 | 34% | 0.337 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61.8 | -39.4 | 175.3 | -59 | -56.7 | 0 | 0 | 0 | 110.6 | I94 M98 S99 A104 E105 Y106 | I94-D102 HydrophobicContact CG2-CB 3.75Å; M98-D102 HydrophobicContact CB-CB 4.02Å; M98-D102 WeakPolarHBondContact CB-OD2 3.27Å; M98-D102 HydrophobicContact SD-CB 4.49Å; S99-D102 VanDerWaalsContact CB-OD2 3.26Å; S99-D102 WeakPolarHBondContact CB-OD2 3.4Å; S99-D102 PolarHBondContact N-OD2 3.43Å; S99-D102 PolarHBondContact O-N 3.18Å; S99-D102 VanDerWaalsContact OG-CG 3.27Å; S99-D102 PolarHBondContact OG-N 3.47Å; S99-D102 VanDerWaalsContact OG-N 3.07Å; S99-D102 PolarHBondContact OG-OD2 3.32Å; D102-A104 VanDerWaalsContact C-N 3.3Å; D102-A104 PolarHBondContact O-N 2.55Å; D102-E105 PolarHBondContact O-N 3.07Å; D102-Y106 WeakPolarHBondContact O-CB 3.37Å; D102-Y106 PolarHBondContact O-N 3.17Å |
| 103 | A | 96.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 78.1 Ų | 78.1 | 0% | 0 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -64.9 | -33.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | M91 I94 R95 S99 N101 W107 | M91-A103 HydrophobicContact CE-CB 4.28Å; M91-A103 WeakPolarHBondContact CE-O 3.31Å; M91-A103 HydrophobicContact CG-CB 4.3Å; I94-A103 HydrophobicContact CG2-CB 4.14Å; R95-A103 HydrophobicContact CB-CB 3.75Å; R95-A103 HydrophobicContact CG-CB 4.38Å; S99-A103 PolarHBondContact O-N 3.37Å; S99-A103 VanDerWaalsContact O-N 3.08Å; N101-A103 VanDerWaalsContact C-N 3.28Å; N101-A103 PolarHBondContact O-N 2.95Å; A103-W107 PolarHBondContact O-N 3.16Å |
| 104 | A | 95.8 | Very high | 96.4 | Very high | 39 Ų | 39 | 74.2 Ų | 74.2 | 32% | 0.322 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -72.1 | -36.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | P100 N101 D102 W107 G108 | P100-A104 PolarHBondContact O-N 3.22Å; P100-A104 VanDerWaalsContact O-N 3.13Å; N101-A104 WeakPolarHBondContact O-CA 3.26Å; N101-A104 WeakPolarHBondContact O-CB 3.46Å; N101-A104 PolarHBondContact O-N 3.31Å; D102-A104 VanDerWaalsContact C-N 3.3Å; D102-A104 PolarHBondContact O-N 2.55Å; A104-W107 PolarHBondContact O-N 3.4Å; A104-G108 PolarHBondContact O-N 3.3Å |
| 105 | E | 96.5 | Very high | 96.4 | Very high | 123 Ų | 123 | 78.5 Ų | 78.5 | 58% | 0.575 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -65.4 | -45.2 | 172.8 | -174.3 | 173.2 | 170.4 | 0 | 0 | 111.2 | N101 D102 W107 G108 Q109 | N101-E105 PolarHBondContact O-N 2.94Å; D102-E105 PolarHBondContact O-N 3.07Å; E105-W107 VanDerWaalsContact C-N 3.33Å; E105-W107 PolarHBondContact O-N 3.41Å; E105-G108 WeakPolarHBondContact O-CA 3.41Å; E105-G108 PolarHBondContact O-N 3.44Å; E105-Q109 PolarHBondContact O-N 2.84Å; E105-Q109 VanDerWaalsContact O-N 3.11Å |
| 106 | Y | 97.3 | Very high | 96.4 | Very high | 38 Ų | 38 | 76.4 Ų | 76.4 | 15% | 0.149 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -55 | -47.7 | 172.8 | 176 | -111.4 | 0 | 0 | 0 | 111.7 | Y87 N90 M91 I94 D102 G108 Q109 I110 | Y87-Y106 VanDerWaalsContact CD1-OH 3.27Å; Y87-Y106 WeakPolarHBondContact CD1-OH 3.49Å; N90-Y106 HydrophobicContact CB-CE1 3.96Å; N90-Y106 VanDerWaalsContact CB-OH 3.32Å; N90-Y106 WeakPolarHBondContact CB-OH 3.07Å; N90-Y106 PolarHBondContact ND2-OH 3.2Å; M91-Y106 HydrophobicContact CB-CD1 4.08Å; M91-Y106 HydrophobicContact CB-CE1 4.1Å; M91-Y106 HydrophobicContact CG-CD1 4.24Å; I94-Y106 HydrophobicContact CD1-CD1 3.87Å; I94-Y106 HydrophobicContact CD1-CD2 3.66Å; I94-Y106 HydrophobicContact CD1-CE1 4.34Å; I94-Y106 HydrophobicContact CD1-CE2 4.17Å; I94-Y106 HydrophobicContact CD1-CG 3.49Å; I94-Y106 VanDerWaalsContact CD1-CG 3.49Å; D102-Y106 WeakPolarHBondContact O-CB 3.37Å; D102-Y106 PolarHBondContact O-N 3.17Å; Y106-G108 VanDerWaalsContact C-N 3.28Å; Y106-G108 PolarHBondContact O-N 3.03Å; Y106-Q109 WeakPolarHBondContact O-CB 3.5Å; Y106-Q109 PolarHBondContact O-N 3.08Å; Y106-I110 HydrophobicContact CD1-CD1 4.07Å; Y106-I110 HydrophobicContact CD2-CG2 4.23Å; Y106-I110 HydrophobicContact CE1-CD1 3.56Å; Y106-I110 HydrophobicContact CE1-CG1 4.43Å; Y106-I110 HydrophobicContact CE1-CG2 4.39Å; Y106-I110 HydrophobicContact CE2-CG2 3.74Å; Y106-I110 WeakPolarHBondContact O-CG1 3.39Å; Y106-I110 PolarHBondContact O-N 2.9Å |
| 107 | W | 96.7 | Very high | 96.4 | Very high | 16 Ų | 16 | 71.5 Ų | 71.5 | 6% | 0.061 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -55.7 | -43 | 172.9 | 170.7 | -109.2 | 0 | 0 | 0 | 112.4 | I4 I7 L8 M91 A103 A104 E105 Q109 I110 R111 F114 | I4-W107 HydrophobicContact CB-CD2 4.42Å; I4-W107 HydrophobicContact CB-CG 4.39Å; I4-W107 HydrophobicContact CD1-CB 3.97Å; I4-W107 HydrophobicContact CD1-CG 3.73Å; I4-W107 HydrophobicContact CG1-CD2 4.25Å; I4-W107 HydrophobicContact CG1-CG 3.88Å; I4-W107 HydrophobicContact CG2-CB 4.06Å; I4-W107 HydrophobicContact CG2-CD2 3.46Å; I4-W107 VanDerWaalsContact CG2-CD2 3.46Å; I4-W107 HydrophobicContact CG2-CE3 3.7Å; I4-W107 HydrophobicContact CG2-CG 3.61Å; I4-W107 HydrophobicContact CG2-CZ3 4.38Å; I7-W107 HydrophobicContact CB-CH2 4.26Å; I7-W107 HydrophobicContact CD1-CZ2 4.14Å; I7-W107 HydrophobicContact CG2-CH2 3.63Å; I7-W107 HydrophobicContact CG2-CZ2 4.32Å; I7-W107 HydrophobicContact CG2-CZ3 4.43Å; L8-W107 HydrophobicContact CB-CZ3 4.29Å; L8-W107 HydrophobicContact CD1-CZ3 4.24Å; L8-W107 HydrophobicContact CD2-CE3 4.12Å; L8-W107 HydrophobicContact CD2-CZ3 4.3Å; M91-W107 HydrophobicContact CE-CB 4.08Å; A103-W107 PolarHBondContact O-N 3.16Å; A104-W107 PolarHBondContact O-N 3.4Å; E105-W107 VanDerWaalsContact C-N 3.33Å; E105-W107 PolarHBondContact O-N 3.41Å; W107-Q109 PolarHBondContact O-N 3.33Å; W107-I110 HydrophobicContact CE3-CD1 4.09Å; W107-I110 HydrophobicContact CE3-CG1 3.96Å; W107-I110 HydrophobicContact CZ3-CG1 4.46Å; W107-I110 PolarHBondContact O-N 3.06Å; W107-R111 HydrophobicContact CD2-CB 4.24Å; W107-R111 HydrophobicContact CH2-CB 4.25Å; W107-R111 HydrophobicContact CH2-CG 4.18Å; W107-R111 HydrophobicContact CZ2-CB 3.91Å; W107-R111 HydrophobicContact CZ2-CG 3.64Å; W107-R111 VanDerWaalsContact O-CB 3.22Å; W107-R111 WeakPolarHBondContact O-CB 3.38Å; W107-R111 PolarHBondContact O-N 3.26Å; W107-F114 HydrophobicContact CH2-CB 4.04Å; W107-F114 HydrophobicContact CH2-CD2 4.49Å; W107-F114 HydrophobicContact CH2-CG 4.5Å; W107-F114 HydrophobicContact CZ3-CB 4.34Å; W107-F114 AromaticContact CZ3-CD2 3.96Å; W107-F114 HydrophobicContact CZ3-CD2 3.96Å; W107-F114 HydrophobicContact CZ3-CG 4.32Å |
| 108 | G | 96.1 | Very high | 96.3 | Very high | 52 Ų | 52 | 65 Ų | 65 | 54% | 0.536 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -56.5 | -36.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | A104 E105 Y106 | A104-G108 PolarHBondContact O-N 3.3Å; E105-G108 WeakPolarHBondContact O-CA 3.41Å; E105-G108 PolarHBondContact O-N 3.44Å; Y106-G108 VanDerWaalsContact C-N 3.28Å; Y106-G108 PolarHBondContact O-N 3.03Å |
| 109 | Q | 96.6 | Very high | 96.2 | Very high | 123 Ų | 123 | 62.3 Ų | 62.3 | 58% | 0.575 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -74.7 | -41.7 | 178.2 | -62.1 | 176.5 | 38.4 | 0 | 0 | 112.3 | E105 Y106 W107 | E105-Q109 PolarHBondContact O-N 2.84Å; E105-Q109 VanDerWaalsContact O-N 3.11Å; Y106-Q109 WeakPolarHBondContact O-CB 3.5Å; Y106-Q109 PolarHBondContact O-N 3.08Å; W107-Q109 PolarHBondContact O-N 3.33Å |
| 110 | I | 97 | Very high | 96.2 | Very high | 10 Ų | 10 | 63.1 Ų | 63.1 | 5% | 0.051 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -90.8 | -15.1 | -173.9 | 68.8 | 168.1 | 0 | 0 | 0 | 114.2 | L8 Y87 Y106 W107 I112 Y113 F114 | L8-I110 HydrophobicContact CD2-CD1 3.94Å; Y87-I110 HydrophobicContact CD1-CB 4.07Å; Y87-I110 HydrophobicContact CD1-CD1 3.52Å; Y87-I110 HydrophobicContact CD1-CG1 4.39Å; Y87-I110 HydrophobicContact CD1-CG2 3.94Å; Y87-I110 HydrophobicContact CE1-CB 4.05Å; Y87-I110 HydrophobicContact CE1-CD1 4.37Å; Y87-I110 HydrophobicContact CE1-CG2 3.77Å; Y87-I110 HydrophobicContact CG-CD1 4.14Å; Y106-I110 HydrophobicContact CD1-CD1 4.07Å; Y106-I110 HydrophobicContact CD2-CG2 4.23Å; Y106-I110 HydrophobicContact CE1-CD1 3.56Å; Y106-I110 HydrophobicContact CE1-CG1 4.43Å; Y106-I110 HydrophobicContact CE1-CG2 4.39Å; Y106-I110 HydrophobicContact CE2-CG2 3.74Å; Y106-I110 WeakPolarHBondContact O-CG1 3.39Å; Y106-I110 PolarHBondContact O-N 2.9Å; W107-I110 HydrophobicContact CE3-CD1 4.09Å; W107-I110 HydrophobicContact CE3-CG1 3.96Å; W107-I110 HydrophobicContact CZ3-CG1 4.46Å; W107-I110 PolarHBondContact O-N 3.06Å; I110-I112 PolarHBondContact O-N 3.01Å; I110-Y113 HydrophobicContact CB-CD2 4.14Å; I110-Y113 WeakPolarHBondContact O-CB 3.33Å; I110-Y113 VanDerWaalsContact O-CD2 3.31Å; I110-Y113 WeakPolarHBondContact O-CD2 3.37Å; I110-Y113 PolarHBondContact O-N 3.39Å; I110-F114 HydrophobicContact CD1-CE2 4.07Å; I110-F114 HydrophobicContact CG1-CE2 4.47Å |
| 111 | R | 95.7 | Very high | 96.1 | Very high | 112 Ų | 112 | 60.7 Ų | 60.7 | 42% | 0.423 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -52.9 | -31.3 | -173.5 | 174.5 | 179.2 | 179 | -162 | 1 | 113.3 | W107 Y113 F114 D118 | W107-R111 HydrophobicContact CD2-CB 4.24Å; W107-R111 HydrophobicContact CH2-CB 4.25Å; W107-R111 HydrophobicContact CH2-CG 4.18Å; W107-R111 HydrophobicContact CZ2-CB 3.91Å; W107-R111 HydrophobicContact CZ2-CG 3.64Å; W107-R111 VanDerWaalsContact O-CB 3.22Å; W107-R111 WeakPolarHBondContact O-CB 3.38Å; W107-R111 PolarHBondContact O-N 3.26Å; R111-Y113 PolarHBondContact O-N 3.13Å; R111-F114 CarbonylContact O-C 3.6Å; R111-F114 PolarHBondContact O-N 3.45Å; R111-D118 IonicContact CZ-OD2 2.8Å; R111-D118 VanDerWaalsContact CZ-OD2 3.24Å; R111-D118 IonicContact NE-OD1 2.91Å; R111-D118 IonicContact NE-OD2 3.78Å; R111-D118 PolarHBondContact NE-OD2 3.34Å; R111-D118 IonicContact NH2-OD1 3.15Å; R111-D118 IonicContact NH2-OD2 3.16Å; R111-D118 PolarHBondContact NH2-OD2 3.49Å |
| 112 | I | 96.1 | Very high | 96.1 | Very high | 124 Ų | 124 | 56.5 Ų | 56.5 | 64% | 0.636 | 29% | 0.286 | S | S | * | . | G | 310 helix | trans | -59.4 | -25.6 | 178.3 | 60.5 | 171 | 0 | 0 | 0 | 113.2 | I110 F114 | I110-I112 PolarHBondContact O-N 3.01Å; I112-F114 VanDerWaalsContact C-N 3.3Å |
| 113 | Y | 96.5 | Very high | 95.9 | Very high | 118 Ų | 118 | 58.2 Ų | 58.2 | 46% | 0.463 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -82.5 | -6.6 | 177 | -55.2 | -56 | 0 | 0 | 0 | 113.4 | E80 I110 R111 | E80-Y113 VanDerWaalsContact CG-O 3.3Å; E80-Y113 WeakPolarHBondContact CG-O 3.35Å; I110-Y113 HydrophobicContact CB-CD2 4.14Å; I110-Y113 WeakPolarHBondContact O-CB 3.33Å; I110-Y113 VanDerWaalsContact O-CD2 3.31Å; I110-Y113 WeakPolarHBondContact O-CD2 3.37Å; I110-Y113 PolarHBondContact O-N 3.39Å; R111-Y113 PolarHBondContact O-N 3.13Å |
| 114 | F | 97 | Very high | 95.7 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -123.5 | 32.2 | -177.4 | -64 | -79.5 | 0 | 0 | 0 | 111.4 | I7 L8 E80 R83 K84 Y87 W107 I110 R111 I112 N116 L117 D118 | I7-F114 HydrophobicContact CG2-CB 4.41Å; L8-F114 HydrophobicContact CD1-CD1 4.21Å; L8-F114 HydrophobicContact CD1-CD2 4.1Å; L8-F114 HydrophobicContact CD1-CE1 3.72Å; L8-F114 HydrophobicContact CD1-CE2 3.62Å; L8-F114 HydrophobicContact CD1-CG 4.37Å; L8-F114 HydrophobicContact CD1-CZ 3.4Å; L8-F114 VanDerWaalsContact CD1-CZ 3.4Å; E80-F114 HydrophobicContact CB-CD1 4.36Å; E80-F114 WeakPolarHBondContact O-CE1 3.45Å; E80-F114 VanDerWaalsContact OE2-CA 3.26Å; E80-F114 WeakPolarHBondContact OE2-CA 3.4Å; R83-F114 HydrophobicContact CB-CE1 4.42Å; R83-F114 HydrophobicContact CB-CZ 4.42Å; K84-F114 HydrophobicContact CG-CE1 4.11Å; Y87-F114 HydrophobicContact CD1-CE2 4.19Å; Y87-F114 HydrophobicContact CD2-CE2 4.03Å; Y87-F114 AromaticContact CD2-CZ 3.59Å; Y87-F114 HydrophobicContact CD2-CZ 3.59Å; Y87-F114 HydrophobicContact CE2-CZ 4.26Å; Y87-F114 AromaticContact CG-CE2 3.84Å; Y87-F114 HydrophobicContact CG-CE2 3.84Å; Y87-F114 AromaticContact CG-CZ 3.71Å; Y87-F114 HydrophobicContact CG-CZ 3.71Å; W107-F114 HydrophobicContact CH2-CB 4.04Å; W107-F114 HydrophobicContact CH2-CD2 4.49Å; W107-F114 HydrophobicContact CH2-CG 4.5Å; W107-F114 HydrophobicContact CZ3-CB 4.34Å; W107-F114 AromaticContact CZ3-CD2 3.96Å; W107-F114 HydrophobicContact CZ3-CD2 3.96Å; W107-F114 HydrophobicContact CZ3-CG 4.32Å; I110-F114 HydrophobicContact CD1-CE2 4.07Å; I110-F114 HydrophobicContact CG1-CE2 4.47Å; R111-F114 CarbonylContact O-C 3.6Å; R111-F114 PolarHBondContact O-N 3.45Å; I112-F114 VanDerWaalsContact C-N 3.3Å; F114-N116 PolarHBondContact O-N 2.85Å; F114-L117 HydrophobicContact CD1-CD1 4.12Å; F114-L117 PolarHBondContact O-N 3.27Å; F114-D118 VanDerWaalsContact O-CB 3.28Å; F114-D118 WeakPolarHBondContact O-CB 3.41Å; F114-D118 PolarHBondContact O-N 2.96Å |
| 115 | K | 96.2 | Very high | 95.5 | Very high | 125 Ų | 125 | 65.3 Ų | 65.3 | 54% | 0.543 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.4 | -42.1 | -172.2 | -178.6 | -170.3 | 168 | -163 | 0 | 111.3 | E80 D118 E119 | E80-K115 PolarHBondContact OE1-N 3Å; E80-K115 PolarHBondContact OE2-N 3.37Å; K115-D118 WeakPolarHBondContact O-CB 3.28Å; K115-D118 PolarHBondContact O-N 3.02Å; K115-E119 VanDerWaalsContact CE-OE1 3.28Å; K115-E119 WeakPolarHBondContact CE-OE1 3.38Å; K115-E119 IonicContact NZ-OE1 2.68Å; K115-E119 WeakPolarHBondContact O-CG 3.26Å; K115-E119 PolarHBondContact O-N 3.14Å |
| 116 | N | 96.7 | Very high | 95.5 | Very high | 22 Ų | 22 | 65 Ų | 65 | 12% | 0.118 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -69.8 | -40.5 | -177.9 | -64.3 | -66.1 | 0 | 0 | 0 | 111 | D76 L77 E80 F114 D118 E119 E120 | D76-N116 WeakPolarHBondContact CB-ND2 3.33Å; L77-N116 HydrophobicContact CD2-CB 3.51Å; L77-N116 HydrophobicContact CG-CB 3.82Å; E80-N116 WeakPolarHBondContact OE1-CB 3.41Å; E80-N116 PolarHBondContact OE1-N 3.47Å; E80-N116 PolarHBondContact OE1-ND2 3.03Å; E80-N116 PolarHBondContact OE2-N 2.71Å; E80-N116 VanDerWaalsContact OE2-N 3.09Å; F114-N116 PolarHBondContact O-N 2.85Å; N116-D118 VanDerWaalsContact C-N 3.31Å; N116-D118 PolarHBondContact O-N 3.45Å; N116-E119 WeakPolarHBondContact O-CB 3.3Å; N116-E119 PolarHBondContact O-N 3.41Å; N116-E120 WeakPolarHBondContact O-CG 3.24Å; N116-E120 PolarHBondContact O-N 3.38Å |
| 117 | L | 96.4 | Very high | 95.4 | Very high | 11 Ų | 11 | 68.7 Ų | 68.7 | 6% | 0.058 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.7 | -35.3 | 173.3 | -71.4 | 179.3 | 0 | 0 | 0 | 112.6 | I7 M17 L77 E80 L81 K84 F114 E119 E120 E121 | I7-L117 HydrophobicContact CG2-CB 4.08Å; M17-L117 HydrophobicContact SD-CD2 4.31Å; L77-L117 HydrophobicContact CD2-CD2 3.83Å; L77-L117 HydrophobicContact CD2-CG 4.2Å; E80-L117 HydrophobicContact CB-CD1 3.86Å; E80-L117 HydrophobicContact CB-CG 4.02Å; E80-L117 WeakPolarHBondContact OE2-CG 3.46Å; E80-L117 PolarHBondContact OE2-N 3.05Å; L81-L117 HydrophobicContact CD2-CD1 4.09Å; L81-L117 HydrophobicContact CD2-CD2 3.74Å; L81-L117 HydrophobicContact CG-CD1 4.33Å; L81-L117 HydrophobicContact CG-CD2 4.01Å; K84-L117 HydrophobicContact CD-CD1 3.84Å; K84-L117 HydrophobicContact CG-CD1 4.15Å; F114-L117 HydrophobicContact CD1-CD1 4.12Å; F114-L117 PolarHBondContact O-N 3.27Å; L117-E119 VanDerWaalsContact C-N 3.31Å; L117-E119 PolarHBondContact O-N 3.32Å; L117-E120 PolarHBondContact O-N 2.91Å; L117-E121 WeakPolarHBondContact O-CB 3.17Å; L117-E121 PolarHBondContact O-N 2.98Å |
| 118 | D | 94.4 | Very high | 95.3 | Very high | 20 Ų | 20 | 74 Ų | 74 | 11% | 0.107 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.9 | -38.2 | 173.6 | -165.3 | 45.1 | 0 | 0 | 0 | 111.9 | R3 I7 R111 F114 K115 N116 A122 | R3-D118 IonicContact CZ-OD1 3Å; R3-D118 IonicContact NH1-OD1 3.51Å; R3-D118 PolarHBondContact NH1-OD1 3.38Å; R3-D118 IonicContact NH2-OD1 3.94Å; R3-D118 PolarHBondContact NH2-OD1 3.21Å; R3-D118 IonicContact NH2-OD2 3.73Å; I7-D118 VanDerWaalsContact CD1-OD1 3.28Å; I7-D118 WeakPolarHBondContact CD1-OD1 3.49Å; R111-D118 IonicContact CZ-OD2 2.8Å; R111-D118 VanDerWaalsContact CZ-OD2 3.24Å; R111-D118 IonicContact NE-OD1 2.91Å; R111-D118 IonicContact NE-OD2 3.78Å; R111-D118 PolarHBondContact NE-OD2 3.34Å; R111-D118 IonicContact NH2-OD1 3.15Å; R111-D118 IonicContact NH2-OD2 3.16Å; R111-D118 PolarHBondContact NH2-OD2 3.49Å; F114-D118 VanDerWaalsContact O-CB 3.28Å; F114-D118 WeakPolarHBondContact O-CB 3.41Å; F114-D118 PolarHBondContact O-N 2.96Å; K115-D118 WeakPolarHBondContact O-CB 3.28Å; K115-D118 PolarHBondContact O-N 3.02Å; N116-D118 VanDerWaalsContact C-N 3.31Å; N116-D118 PolarHBondContact O-N 3.45Å; D118-A122 WeakPolarHBondContact O-CB 3.35Å; D118-A122 PolarHBondContact O-N 3.49Å; D118-A122 VanDerWaalsContact O-N 3.12Å |
| 119 | E | 95.3 | Very high | 95.3 | Very high | 75 Ų | 75 | 73.7 Ų | 73.7 | 35% | 0.35 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -68 | -44.1 | 172.7 | -71.8 | 177.5 | -170.6 | 0 | 0 | 112.4 | K73 K115 N116 L117 A122 K123 | K73-E119 IonicContact NZ-OE2 3.16Å; K73-E119 PolarHBondContact NZ-OE2 3.38Å; K115-E119 VanDerWaalsContact CE-OE1 3.28Å; K115-E119 WeakPolarHBondContact CE-OE1 3.38Å; K115-E119 IonicContact NZ-OE1 2.68Å; K115-E119 WeakPolarHBondContact O-CG 3.26Å; K115-E119 PolarHBondContact O-N 3.14Å; N116-E119 WeakPolarHBondContact O-CB 3.3Å; N116-E119 PolarHBondContact O-N 3.41Å; L117-E119 VanDerWaalsContact C-N 3.31Å; L117-E119 PolarHBondContact O-N 3.32Å; E119-A122 PolarHBondContact O-N 2.94Å; E119-K123 WeakPolarHBondContact O-CG 3.16Å; E119-K123 PolarHBondContact O-N 3.19Å |
| 120 | E | 94.1 | Very high | 95.3 | Very high | 47 Ų | 47 | 71 Ų | 71 | 22% | 0.22 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -66.1 | -39.6 | 178.7 | -66 | -48.4 | 131.9 | 0 | 0 | 111.8 | K73 L77 N116 L117 A122 K123 Y124 | K73-E120 IonicContact NZ-OE1 3.63Å; K73-E120 PolarHBondContact NZ-OE1 3.16Å; L77-E120 HydrophobicContact CD1-CG 4.39Å; L77-E120 HydrophobicContact CD2-CG 4.07Å; N116-E120 WeakPolarHBondContact O-CG 3.24Å; N116-E120 PolarHBondContact O-N 3.38Å; L117-E120 PolarHBondContact O-N 2.91Å; E120-A122 VanDerWaalsContact C-N 3.34Å; E120-A122 PolarHBondContact O-N 3.5Å; E120-K123 PolarHBondContact O-N 2.66Å; E120-K123 IonicContact OE1-NZ 3.7Å; E120-K123 PolarHBondContact OE1-NZ 3.35Å; E120-K123 IonicContact OE2-NZ 2.66Å; E120-K123 PolarHBondContact OE2-NZ 2.91Å; E120-Y124 PolarHBondContact O-N 2.96Å |
| 121 | E | 94 | Very high | 95.3 | Very high | 24 Ų | 24 | 72.1 Ų | 72.1 | 11% | 0.112 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.7 | -40.6 | 172.8 | -179.1 | 62.7 | -161.8 | 0 | 0 | 111.3 | R6 I7 L117 K123 Y124 E125 | R6-E121 VanDerWaalsContact CD-OE1 3.29Å; R6-E121 WeakPolarHBondContact CD-OE1 3.45Å; R6-E121 IonicContact CZ-OE1 2.99Å; R6-E121 IonicContact NE-OE1 2.97Å; R6-E121 PolarHBondContact NE-OE1 3.33Å; R6-E121 IonicContact NH2-OE1 3.85Å; I7-E121 HydrophobicContact CD1-CB 4.28Å; I7-E121 HydrophobicContact CD1-CG 4.24Å; I7-E121 HydrophobicContact CG1-CB 3.78Å; I7-E121 HydrophobicContact CG1-CG 3.8Å; L117-E121 WeakPolarHBondContact O-CB 3.17Å; L117-E121 PolarHBondContact O-N 2.98Å; E121-K123 VanDerWaalsContact C-N 3.33Å; E121-K123 PolarHBondContact O-N 3Å; E121-Y124 PolarHBondContact O-N 3.4Å; E121-E125 WeakPolarHBondContact O-CG 2.92Å; E121-E125 PolarHBondContact O-N 2.95Å |
| 122 | A | 94.7 | Very high | 95.4 | Very high | 45 Ų | 45 | 72 Ų | 72 | 37% | 0.372 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.8 | -38.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | D118 E119 E120 L126 | D118-A122 WeakPolarHBondContact O-CB 3.35Å; D118-A122 PolarHBondContact O-N 3.49Å; D118-A122 VanDerWaalsContact O-N 3.12Å; E119-A122 PolarHBondContact O-N 2.94Å; E120-A122 VanDerWaalsContact C-N 3.34Å; E120-A122 PolarHBondContact O-N 3.5Å; A122-L126 WeakPolarHBondContact O-CB 3.49Å; A122-L126 PolarHBondContact O-N 3.09Å |
| 123 | K | 94.8 | Very high | 95.5 | Very high | 98 Ų | 98 | 73.4 Ų | 73.4 | 43% | 0.426 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.7 | -43.6 | 173.6 | -69.3 | 171.7 | -174.7 | 171.7 | 0 | 111.5 | E119 E120 E121 L126 I127 | E119-K123 WeakPolarHBondContact O-CG 3.16Å; E119-K123 PolarHBondContact O-N 3.19Å; E120-K123 PolarHBondContact O-N 2.66Å; E120-K123 IonicContact OE1-NZ 3.7Å; E120-K123 PolarHBondContact OE1-NZ 3.35Å; E120-K123 IonicContact OE2-NZ 2.66Å; E120-K123 PolarHBondContact OE2-NZ 2.91Å; E121-K123 VanDerWaalsContact C-N 3.33Å; E121-K123 PolarHBondContact O-N 3Å; K123-L126 WeakPolarHBondContact O-CB 3.3Å; K123-L126 PolarHBondContact O-N 2.65Å; K123-I127 WeakPolarHBondContact O-CG1 3.35Å; K123-I127 PolarHBondContact O-N 3.37Å |
| 124 | Y | 91.1 | Very high | 95.6 | Very high | 124 Ų | 124 | 73.6 Ų | 73.6 | 49% | 0.486 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60.6 | -45.7 | 177.2 | 171.7 | -107.7 | 0 | 0 | 0 | 111.8 | E120 E121 L126 I127 K128 | E120-Y124 PolarHBondContact O-N 2.96Å; E121-Y124 PolarHBondContact O-N 3.4Å; Y124-L126 VanDerWaalsContact C-N 3.3Å; Y124-L126 PolarHBondContact O-N 2.95Å; Y124-I127 PolarHBondContact O-N 3.16Å; Y124-K128 WeakPolarHBondContact O-CB 3.37Å; Y124-K128 PolarHBondContact O-N 3.49Å |
| 125 | E | 93.1 | Very high | 95.6 | Very high | 65 Ų | 65 | 81.1 Ų | 81.1 | 30% | 0.304 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59.6 | -41.5 | 175.6 | -73.3 | -176.4 | 158.9 | 0 | 0 | 111.7 | R3 R6 E121 K128 A129 | R3-E125 IonicContact NE-OE2 3.24Å; R6-E125 IonicContact CZ-OE1 3.38Å; R6-E125 IonicContact NH2-OE1 3.77Å; R6-E125 PolarHBondContact NH2-OE1 3.48Å; E121-E125 WeakPolarHBondContact O-CG 2.92Å; E121-E125 PolarHBondContact O-N 2.95Å; E125-K128 PolarHBondContact O-N 2.83Å; E125-A129 WeakPolarHBondContact O-CB 3.26Å; E125-A129 PolarHBondContact O-N 3.36Å |
| 126 | L | 95.8 | Very high | 95.7 | Very high | 115 Ų | 115 | 83.1 Ų | 83.1 | 60% | 0.602 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -63.6 | -48.5 | 176.7 | -178.2 | 62.8 | 0 | 0 | 0 | 111.9 | A122 K123 Y124 K128 A129 V130 | A122-L126 WeakPolarHBondContact O-CB 3.49Å; A122-L126 PolarHBondContact O-N 3.09Å; K123-L126 WeakPolarHBondContact O-CB 3.3Å; K123-L126 PolarHBondContact O-N 2.65Å; Y124-L126 VanDerWaalsContact C-N 3.3Å; Y124-L126 PolarHBondContact O-N 2.95Å; L126-K128 VanDerWaalsContact C-N 3.31Å; L126-K128 PolarHBondContact O-N 2.96Å; L126-A129 PolarHBondContact O-N 3.34Å; L126-V130 HydrophobicContact CD1-CG2 4.45Å; L126-V130 WeakPolarHBondContact O-CG2 3Å; L126-V130 PolarHBondContact O-N 2.96Å |
| 127 | I | 95.5 | Very high | 95.7 | Very high | 116 Ų | 116 | 86 Ų | 86 | 60% | 0.595 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -58.6 | -45.5 | 178 | -70.6 | 164.4 | 0 | 0 | 0 | 110.2 | K123 Y124 A129 V130 A131 | K123-I127 WeakPolarHBondContact O-CG1 3.35Å; K123-I127 PolarHBondContact O-N 3.37Å; Y124-I127 PolarHBondContact O-N 3.16Å; I127-A129 VanDerWaalsContact C-N 3.33Å; I127-A129 PolarHBondContact O-N 3.34Å; I127-V130 PolarHBondContact O-N 3.42Å; I127-A131 WeakPolarHBondContact O-CB 3.48Å; I127-A131 PolarHBondContact O-N 3.23Å |
| 128 | K | 93.9 | Very high | 95.8 | Very high | 127 Ų | 127 | 89.1 Ų | 89.1 | 55% | 0.552 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -62.1 | -40.9 | 177.9 | -172.4 | 178.3 | 178.2 | -178.3 | 0 | 111.9 | Y124 E125 L126 H132 | Y124-K128 WeakPolarHBondContact O-CB 3.37Å; Y124-K128 PolarHBondContact O-N 3.49Å; E125-K128 PolarHBondContact O-N 2.83Å; L126-K128 VanDerWaalsContact C-N 3.31Å; L126-K128 PolarHBondContact O-N 2.96Å; K128-H132 WeakPolarHBondContact O-CB 2.99Å; K128-H132 PolarHBondContact O-N 3.17Å |
| 129 | A | 96 | Very high | 95.9 | Very high | 47 Ų | 47 | 92.6 Ų | 92.6 | 39% | 0.388 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -65.9 | -41.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | E125 L126 I127 H132 K133 | E125-A129 WeakPolarHBondContact O-CB 3.26Å; E125-A129 PolarHBondContact O-N 3.36Å; L126-A129 PolarHBondContact O-N 3.34Å; I127-A129 VanDerWaalsContact C-N 3.33Å; I127-A129 PolarHBondContact O-N 3.34Å; A129-H132 PolarHBondContact O-N 3.15Å; A129-K133 WeakPolarHBondContact O-CG 3.49Å; A129-K133 PolarHBondContact O-N 2.82Å |
| 130 | V | 97.8 | Very high | 96.1 | Very high | 65 Ų | 65 | 92.7 Ų | 92.7 | 39% | 0.394 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62.2 | -52.1 | 175 | 171.1 | 0 | 0 | 0 | 0 | 110.3 | L126 I127 H132 K133 E134 | L126-V130 HydrophobicContact CD1-CG2 4.45Å; L126-V130 WeakPolarHBondContact O-CG2 3Å; L126-V130 PolarHBondContact O-N 2.96Å; I127-V130 PolarHBondContact O-N 3.42Å; V130-H132 PolarHBondContact O-N 2.91Å; V130-K133 WeakPolarHBondContact O-CA 3.46Å; V130-K133 WeakPolarHBondContact O-CB 3.46Å; V130-K133 PolarHBondContact O-N 2.93Å; V130-E134 HydrophobicContact CG1-CG 4.27Å; V130-E134 WeakPolarHBondContact O-CG 3.23Å; V130-E134 PolarHBondContact O-N 3.39Å |
| 131 | A | 97 | Very high | 96.2 | Very high | 35 Ų | 35 | 97.3 Ų | 97.3 | 29% | 0.289 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -59.1 | -31.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | I127 R135 | I127-A131 WeakPolarHBondContact O-CB 3.48Å; I127-A131 PolarHBondContact O-N 3.23Å; A131-R135 WeakPolarHBondContact O-CG 3.32Å; A131-R135 PolarHBondContact O-N 3.48Å; A131-R135 PolarHBondContact O-NE 2.71Å |
| 132 | H | 97.2 | Very high | 96.4 | Very high | 110 Ų | 110 | 103.6 Ų | 103.6 | 51% | 0.509 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -69.1 | -45.5 | 172 | -180 | 71.1 | 0 | 0 | 0 | 112 | K128 A129 V130 R135 R136 | K128-H132 WeakPolarHBondContact O-CB 2.99Å; K128-H132 PolarHBondContact O-N 3.17Å; A129-H132 PolarHBondContact O-N 3.15Å; V130-H132 PolarHBondContact O-N 2.91Å; H132-R135 PolarHBondContact O-N 3.02Å; H132-R136 PolarHBondContact O-N 2.83Å |
| 133 | K | 97.6 | Very high | 96.4 | Very high | 152 Ų | 152 | 107.1 Ų | 107.1 | 66% | 0.661 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.7 | -40.2 | 177.3 | -73.1 | 178.7 | 179.8 | -179.2 | 0 | 112.2 | A129 V130 R136 L137 | A129-K133 WeakPolarHBondContact O-CG 3.49Å; A129-K133 PolarHBondContact O-N 2.82Å; V130-K133 WeakPolarHBondContact O-CA 3.46Å; V130-K133 WeakPolarHBondContact O-CB 3.46Å; V130-K133 PolarHBondContact O-N 2.93Å; K133-R136 PolarHBondContact O-N 3.41Å; K133-L137 WeakPolarHBondContact O-CB 3.26Å; K133-L137 PolarHBondContact O-N 2.94Å |
| 134 | E | 98 | Very high | 96.5 | Very high | 123 Ų | 123 | 108.7 Ų | 108.7 | 58% | 0.575 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60.7 | -46 | 176.1 | -73.1 | 176.8 | 157.8 | 0 | 0 | 111.8 | V130 R136 L137 E138 | V130-E134 HydrophobicContact CG1-CG 4.27Å; V130-E134 WeakPolarHBondContact O-CG 3.23Å; V130-E134 PolarHBondContact O-N 3.39Å; E134-R136 VanDerWaalsContact C-N 3.31Å; E134-R136 PolarHBondContact O-N 3.14Å; E134-L137 PolarHBondContact O-N 3.32Å; E134-E138 WeakPolarHBondContact O-CB 3.48Å; E134-E138 PolarHBondContact O-N 3.03Å |
| 135 | R | 97.8 | Very high | 96.8 | Very high | 157 Ų | 157 | 105.9 Ų | 105.9 | 59% | 0.592 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.3 | -40.4 | 174 | -76.8 | -176 | -73.4 | 177.2 | -4.2 | 112.4 | A131 H132 E138 N139 | A131-R135 WeakPolarHBondContact O-CG 3.32Å; A131-R135 PolarHBondContact O-N 3.48Å; A131-R135 PolarHBondContact O-NE 2.71Å; H132-R135 PolarHBondContact O-N 3.02Å; R135-E138 PolarHBondContact O-N 3.21Å; R135-N139 PolarHBondContact O-N 3.35Å; R135-N139 VanDerWaalsContact O-N 3.08Å; R135-N139 PolarHBondContact O-ND2 3.46Å |
| 136 | R | 97.7 | Very high | 96.7 | Very high | 168 Ų | 168 | 109.8 Ų | 109.8 | 63% | 0.634 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.5 | -42 | 176.4 | -174.2 | 174.5 | 177.3 | 168.1 | -1.4 | 111.7 | H132 K133 E134 N139 L140 | H132-R136 PolarHBondContact O-N 2.83Å; K133-R136 PolarHBondContact O-N 3.41Å; E134-R136 VanDerWaalsContact C-N 3.31Å; E134-R136 PolarHBondContact O-N 3.14Å; R136-N139 PolarHBondContact O-N 3.09Å; R136-L140 HydrophobicContact CG-CD1 4.44Å; R136-L140 WeakPolarHBondContact O-CG 3.27Å; R136-L140 PolarHBondContact O-N 2.92Å |
| 137 | L | 98 | Very high | 96.6 | Very high | 83 Ų | 83 | 109.2 Ų | 109.2 | 44% | 0.435 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.6 | -42.9 | 177.3 | -178.3 | 62.3 | 0 | 0 | 0 | 111.5 | K133 E134 N139 L140 R141 | K133-L137 WeakPolarHBondContact O-CB 3.26Å; K133-L137 PolarHBondContact O-N 2.94Å; E134-L137 PolarHBondContact O-N 3.32Å; L137-N139 VanDerWaalsContact C-N 3.34Å; L137-N139 PolarHBondContact O-N 3.4Å; L137-L140 PolarHBondContact O-N 3.49Å; L137-R141 WeakPolarHBondContact O-CG 3.39Å; L137-R141 PolarHBondContact O-N 3.4Å |
| 138 | E | 97.9 | Very high | 96.6 | Very high | 75 Ų | 75 | 111.6 Ų | 111.6 | 35% | 0.35 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.6 | -42.9 | 175.2 | 177.1 | 55.9 | -157.1 | 0 | 0 | 111.8 | E134 R135 L140 R141 R142 | E134-E138 WeakPolarHBondContact O-CB 3.48Å; E134-E138 PolarHBondContact O-N 3.03Å; R135-E138 PolarHBondContact O-N 3.21Å; E138-L140 PolarHBondContact O-N 3.37Å; E138-R141 PolarHBondContact O-N 3.34Å; E138-R142 WeakPolarHBondContact O-CG 3.22Å; E138-R142 PolarHBondContact O-N 2.79Å; E138-R142 VanDerWaalsContact O-N 3.1Å; E138-R142 IonicContact OE1-CZ 2.88Å; E138-R142 IonicContact OE1-NE 3.52Å; E138-R142 PolarHBondContact OE1-NE 2.87Å; E138-R142 IonicContact OE1-NH2 3.45Å; E138-R142 PolarHBondContact OE1-NH2 3.25Å; E138-R142 VanDerWaalsContact OE1-NH2 3.11Å |
| 139 | N | 97.7 | Very high | 96.6 | Very high | 94 Ų | 94 | 111.9 Ų | 111.9 | 50% | 0.503 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.9 | -41.2 | 174.8 | -73.2 | -19.2 | 0 | 0 | 0 | 112.5 | R135 R136 L137 R142 Q143 | R135-N139 PolarHBondContact O-N 3.35Å; R135-N139 VanDerWaalsContact O-N 3.08Å; R135-N139 PolarHBondContact O-ND2 3.46Å; R136-N139 PolarHBondContact O-N 3.09Å; L137-N139 VanDerWaalsContact C-N 3.34Å; L137-N139 PolarHBondContact O-N 3.4Å; N139-R142 PolarHBondContact O-N 3.21Å; N139-Q143 WeakPolarHBondContact O-CG 3.31Å; N139-Q143 PolarHBondContact O-N 3.41Å; N139-Q143 VanDerWaalsContact O-N 3.1Å |
| 140 | L | 97.9 | Very high | 96.2 | Very high | 76 Ų | 76 | 113.5 Ų | 113.5 | 40% | 0.398 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.5 | -43.9 | 176.3 | -73.3 | 170 | 0 | 0 | 0 | 111.5 | R136 L137 E138 R142 Q143 E144 | R136-L140 HydrophobicContact CG-CD1 4.44Å; R136-L140 WeakPolarHBondContact O-CG 3.27Å; R136-L140 PolarHBondContact O-N 2.92Å; L137-L140 PolarHBondContact O-N 3.49Å; E138-L140 PolarHBondContact O-N 3.37Å; L140-R142 VanDerWaalsContact C-N 3.27Å; L140-R142 PolarHBondContact O-N 3.25Å; L140-Q143 WeakPolarHBondContact O-CB 3.45Å; L140-Q143 PolarHBondContact O-N 3.38Å; L140-E144 PolarHBondContact O-N 3.21Å |
| 141 | R | 97.6 | Very high | 96 | Very high | 144 Ų | 144 | 116.6 Ų | 116.6 | 54% | 0.543 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -57.6 | -39.6 | 175.5 | -75.1 | 175.2 | 175.3 | 171.9 | -1.4 | 112.3 | L137 E138 E144 A145 | L137-R141 WeakPolarHBondContact O-CG 3.39Å; L137-R141 PolarHBondContact O-N 3.4Å; E138-R141 PolarHBondContact O-N 3.34Å; R141-E144 PolarHBondContact O-N 3.4Å; R141-A145 WeakPolarHBondContact O-CB 3.39Å; R141-A145 PolarHBondContact O-N 2.01Å |
| 142 | R | 97 | Very high | 95.7 | Very high | 156 Ų | 156 | 120.1 Ų | 120.1 | 59% | 0.589 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -66 | -39.5 | 175.4 | -69.4 | 175.9 | -170 | -167.4 | 0.6 | 112.4 | E138 N139 L140 A145 Y146 | E138-R142 WeakPolarHBondContact O-CG 3.22Å; E138-R142 PolarHBondContact O-N 2.79Å; E138-R142 VanDerWaalsContact O-N 3.1Å; E138-R142 IonicContact OE1-CZ 2.88Å; E138-R142 IonicContact OE1-NE 3.52Å; E138-R142 PolarHBondContact OE1-NE 2.87Å; E138-R142 IonicContact OE1-NH2 3.45Å; E138-R142 PolarHBondContact OE1-NH2 3.25Å; E138-R142 VanDerWaalsContact OE1-NH2 3.11Å; N139-R142 PolarHBondContact O-N 3.21Å; L140-R142 VanDerWaalsContact C-N 3.27Å; L140-R142 PolarHBondContact O-N 3.25Å; R142-A145 PolarHBondContact O-N 2.95Å; R142-Y146 PolarHBondContact O-N 3.11Å |
| 143 | Q | 95.2 | Very high | 95.1 | Very high | 120 Ų | 120 | 118.6 Ų | 118.6 | 56% | 0.561 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -66 | -44 | 176.2 | -72.1 | 178.2 | -14.7 | 0 | 0 | 111.6 | N139 L140 A145 Y146 L147 | N139-Q143 WeakPolarHBondContact O-CG 3.31Å; N139-Q143 PolarHBondContact O-N 3.41Å; N139-Q143 VanDerWaalsContact O-N 3.1Å; L140-Q143 WeakPolarHBondContact O-CB 3.45Å; L140-Q143 PolarHBondContact O-N 3.38Å; Q143-A145 PolarHBondContact O-N 3.29Å; Q143-Y146 WeakPolarHBondContact O-CB 3.35Å; Q143-Y146 PolarHBondContact O-N 2.99Å; Q143-L147 WeakPolarHBondContact O-CG 3.31Å; Q143-L147 PolarHBondContact O-N 2.84Å |
| 144 | E | 97 | Very high | 94.6 | Very high | 131 Ų | 131 | 120.3 Ų | 120.3 | 61% | 0.612 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -59.7 | -44.9 | 174.6 | -73.2 | 176.3 | 173.3 | 0 | 0 | 111.5 | L140 R141 Y146 L147 R148 | L140-E144 PolarHBondContact O-N 3.21Å; R141-E144 PolarHBondContact O-N 3.4Å; E144-Y146 VanDerWaalsContact C-N 3.32Å; E144-Y146 PolarHBondContact O-N 3.26Å; E144-L147 PolarHBondContact O-N 3.28Å; E144-R148 WeakPolarHBondContact O-CB 3.3Å; E144-R148 PolarHBondContact O-N 3.34Å |
| 145 | A | 96.2 | Very high | 94.3 | Very high | 65 Ų | 65 | 117.2 Ų | 117.2 | 54% | 0.537 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.3 | -39.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | R141 R142 Q143 K149 | R141-A145 WeakPolarHBondContact O-CB 3.39Å; R141-A145 PolarHBondContact O-N 2.01Å; R142-A145 PolarHBondContact O-N 2.95Å; Q143-A145 PolarHBondContact O-N 3.29Å; A145-K149 PolarHBondContact O-N 2.91Å; A145-K149 VanDerWaalsContact O-N 3.15Å |
| 146 | Y | 92.8 | Very high | 93.8 | Very high | 147 Ų | 147 | 112.8 Ų | 112.8 | 58% | 0.576 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65 | -46.8 | 175 | 176.1 | -93.9 | 0 | 0 | 0 | 112.2 | R142 Q143 E144 R148 K149 M150 | R142-Y146 PolarHBondContact O-N 3.11Å; Q143-Y146 WeakPolarHBondContact O-CB 3.35Å; Q143-Y146 PolarHBondContact O-N 2.99Å; E144-Y146 VanDerWaalsContact C-N 3.32Å; E144-Y146 PolarHBondContact O-N 3.26Å; Y146-R148 PolarHBondContact O-N 2.97Å; Y146-K149 WeakPolarHBondContact O-CB 3.42Å; Y146-K149 PolarHBondContact O-N 3.07Å; Y146-M150 HydrophobicContact CD1-CG 4.15Å; Y146-M150 HydrophobicContact CE1-CG 3.64Å; Y146-M150 HydrophobicContact CE1-SD 4.48Å; Y146-M150 HydrophobicContact CE2-CG 4.34Å; Y146-M150 HydrophobicContact CE2-SD 4.48Å; Y146-M150 WeakPolarHBondContact O-CG 3.47Å; Y146-M150 PolarHBondContact O-N 3.16Å |
| 147 | L | 93.5 | Very high | 93.2 | Very high | 102 Ų | 102 | 109.1 Ų | 109.1 | 53% | 0.534 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.9 | -44.7 | 178.9 | -73.3 | 172.9 | 0 | 0 | 0 | 111.4 | Q143 E144 K149 M150 E151 | Q143-L147 WeakPolarHBondContact O-CG 3.31Å; Q143-L147 PolarHBondContact O-N 2.84Å; E144-L147 PolarHBondContact O-N 3.28Å; L147-K149 VanDerWaalsContact C-N 3.3Å; L147-K149 PolarHBondContact O-N 3.05Å; L147-M150 WeakPolarHBondContact O-CB 3.39Å; L147-M150 PolarHBondContact O-N 2.68Å; L147-M150 VanDerWaalsContact O-N 3.08Å; L147-E151 WeakPolarHBondContact O-CG 3.07Å; L147-E151 PolarHBondContact O-N 3.18Å |
| 148 | R | 94.7 | Very high | 92.7 | Very high | 167 Ų | 167 | 109 Ų | 109 | 63% | 0.63 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -56.8 | -43.8 | 174.7 | -177.3 | 178.6 | 171.8 | 171.1 | 4.1 | 111.9 | E144 Y146 M150 E151 E152 | E144-R148 WeakPolarHBondContact O-CB 3.3Å; E144-R148 PolarHBondContact O-N 3.34Å; Y146-R148 PolarHBondContact O-N 2.97Å; R148-M150 VanDerWaalsContact C-N 3.34Å; R148-M150 PolarHBondContact O-N 2.81Å; R148-E151 WeakPolarHBondContact O-CB 3.37Å; R148-E151 PolarHBondContact O-N 2.86Å; R148-E152 IonicContact NE-OE1 2.69Å; R148-E152 WeakPolarHBondContact O-CG 3.46Å; R148-E152 PolarHBondContact O-N 3.07Å |
| 149 | K | 93.7 | Very high | 92.1 | Very high | 133 Ų | 133 | 109.6 Ų | 109.6 | 58% | 0.578 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.8 | -38.2 | 176.1 | -172 | 175.3 | -177.8 | 178.5 | 0 | 112.4 | A145 Y146 L147 E151 E152 I153 | A145-K149 PolarHBondContact O-N 2.91Å; A145-K149 VanDerWaalsContact O-N 3.15Å; Y146-K149 WeakPolarHBondContact O-CB 3.42Å; Y146-K149 PolarHBondContact O-N 3.07Å; L147-K149 VanDerWaalsContact C-N 3.3Å; L147-K149 PolarHBondContact O-N 3.05Å; K149-E151 VanDerWaalsContact C-N 3.35Å; K149-E152 PolarHBondContact O-N 3Å; K149-I153 HydrophobicContact CG-CD1 4.4Å; K149-I153 WeakPolarHBondContact O-CG1 3.06Å; K149-I153 PolarHBondContact O-N 2.8Å |
| 150 | M | 88.9 | Confident | 91.3 | Very high | 81 Ų | 81 | 109.4 Ų | 109.4 | 40% | 0.399 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.8 | -36.3 | 175.7 | -72.2 | -59 | -58.9 | 0 | 0 | 112.3 | Y146 L147 R148 I153 R154 | Y146-M150 HydrophobicContact CD1-CG 4.15Å; Y146-M150 HydrophobicContact CE1-CG 3.64Å; Y146-M150 HydrophobicContact CE1-SD 4.48Å; Y146-M150 HydrophobicContact CE2-CG 4.34Å; Y146-M150 HydrophobicContact CE2-SD 4.48Å; Y146-M150 WeakPolarHBondContact O-CG 3.47Å; Y146-M150 PolarHBondContact O-N 3.16Å; L147-M150 WeakPolarHBondContact O-CB 3.39Å; L147-M150 PolarHBondContact O-N 2.68Å; L147-M150 VanDerWaalsContact O-N 3.08Å; R148-M150 VanDerWaalsContact C-N 3.34Å; R148-M150 PolarHBondContact O-N 2.81Å; M150-I153 PolarHBondContact O-N 2.91Å; M150-I153 HydrophobicContact SD-CD1 4.37Å; M150-R154 WeakPolarHBondContact O-CB 3.25Å; M150-R154 PolarHBondContact O-N 3.07Å |
| 151 | E | 92.4 | Very high | 90.7 | Very high | 129 Ų | 129 | 110.8 Ų | 110.8 | 60% | 0.603 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -64.9 | -42 | 173.7 | -71.5 | 173.2 | 170.9 | 0 | 0 | 111.7 | L147 R148 K149 R154 A155 | L147-E151 WeakPolarHBondContact O-CG 3.07Å; L147-E151 PolarHBondContact O-N 3.18Å; R148-E151 WeakPolarHBondContact O-CB 3.37Å; R148-E151 PolarHBondContact O-N 2.86Å; K149-E151 VanDerWaalsContact C-N 3.35Å; E151-R154 PolarHBondContact O-N 3.46Å; E151-A155 WeakPolarHBondContact O-CB 3.47Å; E151-A155 PolarHBondContact O-N 3.47Å |
| 152 | E | 91.6 | Very high | 89.7 | Confident | 110 Ų | 110 | 106 Ų | 106 | 51% | 0.514 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.4 | -44.9 | 174.2 | -71.5 | 168.8 | -171.3 | 0 | 0 | 111.8 | R148 K149 A155 A156 | R148-E152 IonicContact NE-OE1 2.69Å; R148-E152 WeakPolarHBondContact O-CG 3.46Å; R148-E152 PolarHBondContact O-N 3.07Å; K149-E152 PolarHBondContact O-N 3Å; E152-A155 PolarHBondContact O-N 3.24Å; E152-A156 PolarHBondContact O-N 2.96Å |
| 153 | I | 85.1 | Confident | 89 | Confident | 77 Ų | 77 | 103.1 Ų | 103.1 | 40% | 0.395 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.8 | -45 | 175.7 | -68.5 | 166.7 | 0 | 0 | 0 | 110.9 | K149 M150 A155 A156 L157 | K149-I153 HydrophobicContact CG-CD1 4.4Å; K149-I153 WeakPolarHBondContact O-CG1 3.06Å; K149-I153 PolarHBondContact O-N 2.8Å; M150-I153 PolarHBondContact O-N 2.91Å; M150-I153 HydrophobicContact SD-CD1 4.37Å; I153-A155 VanDerWaalsContact C-N 3.3Å; I153-A155 PolarHBondContact O-N 3.48Å; I153-A156 PolarHBondContact O-N 3.28Å; I153-L157 HydrophobicContact CG2-CD1 4.02Å; I153-L157 HydrophobicContact CG2-CG 4.4Å; I153-L157 WeakPolarHBondContact O-CG 3.4Å; I153-L157 PolarHBondContact O-N 2.9Å |
| 154 | R | 86.2 | Confident | 88.3 | Confident | 189 Ų | 189 | 103.1 Ų | 103.1 | 71% | 0.713 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -60.2 | -41.8 | 177.9 | -176.3 | -174.8 | -69.2 | 174.1 | -1.7 | 111.2 | M150 E151 L157 S158 | M150-R154 WeakPolarHBondContact O-CB 3.25Å; M150-R154 PolarHBondContact O-N 3.07Å; E151-R154 PolarHBondContact O-N 3.46Å; R154-L157 PolarHBondContact O-N 3.24Å; R154-S158 WeakPolarHBondContact O-CB 3.43Å; R154-S158 PolarHBondContact O-N 3.2Å |
| 155 | A | 90.6 | Very high | 87.4 | Confident | 58 Ų | 58 | 103.8 Ų | 103.8 | 48% | 0.479 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.4 | -43 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | E151 E152 I153 S158 V159 | E151-A155 WeakPolarHBondContact O-CB 3.47Å; E151-A155 PolarHBondContact O-N 3.47Å; E152-A155 PolarHBondContact O-N 3.24Å; I153-A155 VanDerWaalsContact C-N 3.3Å; I153-A155 PolarHBondContact O-N 3.48Å; A155-S158 WeakPolarHBondContact O-CB 3.41Å; A155-S158 PolarHBondContact O-N 3Å; A155-V159 WeakPolarHBondContact O-CG2 3.48Å; A155-V159 PolarHBondContact O-N 3.21Å; A155-V159 VanDerWaalsContact O-N 3.16Å |
| 156 | A | 88.9 | Confident | 86.2 | Confident | 63 Ų | 63 | 106.8 Ų | 106.8 | 52% | 0.521 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.6 | -42.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | E152 I153 V159 L160 | E152-A156 PolarHBondContact O-N 2.96Å; I153-A156 PolarHBondContact O-N 3.28Å; A156-V159 PolarHBondContact O-N 3.47Å; A156-L160 PolarHBondContact O-N 2.82Å |
| 157 | L | 85 | Confident | 85.5 | Confident | 92 Ų | 92 | 103.8 Ų | 103.8 | 48% | 0.482 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.7 | -42.4 | 175.4 | -72.4 | 172.7 | 0 | 0 | 0 | 111.7 | I153 R154 V159 L160 D161 | I153-L157 HydrophobicContact CG2-CD1 4.02Å; I153-L157 HydrophobicContact CG2-CG 4.4Å; I153-L157 WeakPolarHBondContact O-CG 3.4Å; I153-L157 PolarHBondContact O-N 2.9Å; R154-L157 PolarHBondContact O-N 3.24Å; L157-V159 PolarHBondContact O-N 3Å; L157-L160 WeakPolarHBondContact O-CB 3.44Å; L157-L160 PolarHBondContact O-N 2.96Å; L157-D161 PolarHBondContact O-N 3.45Å |
| 158 | S | 86.5 | Confident | 84.9 | Confident | 79 Ų | 79 | 104.9 Ų | 104.9 | 55% | 0.552 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -57.2 | -38.5 | 175 | -175.7 | 0 | 0 | 0 | 0 | 112.3 | R154 A155 A162 | R154-S158 WeakPolarHBondContact O-CB 3.43Å; R154-S158 PolarHBondContact O-N 3.2Å; A155-S158 WeakPolarHBondContact O-CB 3.41Å; A155-S158 PolarHBondContact O-N 3Å; S158-A162 PolarHBondContact O-N 3.41Å; S158-A162 VanDerWaalsContact O-N 3.12Å |
| 159 | V | 85 | Confident | 84 | Confident | 89 Ų | 89 | 100 Ų | 100 | 54% | 0.539 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68.1 | -41.7 | 174.2 | 174.2 | 0 | 0 | 0 | 0 | 111.4 | A155 A156 L157 A162 L163 | A155-V159 WeakPolarHBondContact O-CG2 3.48Å; A155-V159 PolarHBondContact O-N 3.21Å; A155-V159 VanDerWaalsContact O-N 3.16Å; A156-V159 PolarHBondContact O-N 3.47Å; L157-V159 PolarHBondContact O-N 3Å; V159-A162 PolarHBondContact O-N 3.21Å; V159-L163 HydrophobicContact CG1-CD1 4.21Å; V159-L163 HydrophobicContact CG1-CG 4.46Å; V159-L163 WeakPolarHBondContact O-CG 3.43Å; V159-L163 PolarHBondContact O-N 3.13Å |
| 160 | L | 82.5 | Confident | 83.1 | Confident | 90 Ų | 90 | 100.2 Ų | 100.2 | 47% | 0.471 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.3 | -44.6 | 177.7 | -173 | 70.2 | 0 | 0 | 0 | 111.6 | A156 L157 A162 L163 M164 | A156-L160 PolarHBondContact O-N 2.82Å; L157-L160 WeakPolarHBondContact O-CB 3.44Å; L157-L160 PolarHBondContact O-N 2.96Å; L160-A162 VanDerWaalsContact C-N 3.28Å; L160-A162 PolarHBondContact O-N 3.35Å; L160-L163 PolarHBondContact O-N 2.03Å; L160-L163 VanDerWaalsContact O-N 3.14Å; L160-M164 HydrophobicContact CG-SD 4.48Å; L160-M164 WeakPolarHBondContact O-CG 3.36Å; L160-M164 PolarHBondContact O-N 3.12Å |
| 161 | D | 84.5 | Confident | 82.6 | Confident | 104 Ų | 104 | 99.2 Ų | 99.2 | 56% | 0.556 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59.1 | -41.9 | 176.3 | -69 | -21.6 | 0 | 0 | 0 | 110.7 | L157 M164 Y165 | L157-D161 PolarHBondContact O-N 3.45Å; D161-M164 PolarHBondContact O-N 2.84Å; D161-Y165 WeakPolarHBondContact O-CB 3.16Å; D161-Y165 PolarHBondContact O-N 3.34Å |
| 162 | A | 75.7 | Confident | 81.8 | Confident | 43 Ų | 43 | 97.1 Ų | 97.1 | 36% | 0.355 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.1 | -43.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | S158 V159 L160 Y165 F166 | S158-A162 PolarHBondContact O-N 3.41Å; S158-A162 VanDerWaalsContact O-N 3.12Å; V159-A162 PolarHBondContact O-N 3.21Å; L160-A162 VanDerWaalsContact C-N 3.28Å; L160-A162 PolarHBondContact O-N 3.35Å; A162-Y165 WeakPolarHBondContact O-CB 3.34Å; A162-Y165 PolarHBondContact O-N 3.4Å; A162-F166 WeakPolarHBondContact O-CD2 3.32Å; A162-F166 PolarHBondContact O-N 3.26Å |
| 163 | L | 82.6 | Confident | 80.9 | Confident | 97 Ų | 97 | 97 Ų | 97 | 51% | 0.508 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63 | -43.8 | 177 | -72.8 | 172.7 | 0 | 0 | 0 | 112 | V159 L160 Y165 F166 D167 | V159-L163 HydrophobicContact CG1-CD1 4.21Å; V159-L163 HydrophobicContact CG1-CG 4.46Å; V159-L163 WeakPolarHBondContact O-CG 3.43Å; V159-L163 PolarHBondContact O-N 3.13Å; L160-L163 PolarHBondContact O-N 2.03Å; L160-L163 VanDerWaalsContact O-N 3.14Å; L163-Y165 VanDerWaalsContact C-N 3.3Å; L163-Y165 PolarHBondContact O-N 3.18Å; L163-F166 PolarHBondContact O-N 3.49Å; L163-F166 VanDerWaalsContact O-N 3.16Å; L163-D167 PolarHBondContact O-N 3.36Å |
| 164 | M | 81.8 | Confident | 80.5 | Confident | 119 Ų | 119 | 98.9 Ų | 98.9 | 59% | 0.586 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -59.4 | -42.9 | 175.7 | -73.8 | -178.4 | 58.3 | 0 | 0 | 111.5 | L160 D161 F166 D167 E168 | L160-M164 HydrophobicContact CG-SD 4.48Å; L160-M164 WeakPolarHBondContact O-CG 3.36Å; L160-M164 PolarHBondContact O-N 3.12Å; D161-M164 PolarHBondContact O-N 2.84Å; M164-F166 PolarHBondContact O-N 3.4Å; M164-D167 PolarHBondContact O-N 2.98Å; M164-E168 PolarHBondContact O-N 3.37Å |
| 165 | Y | 76.7 | Confident | 79.4 | Confident | 145 Ų | 145 | 98.1 Ų | 98.1 | 57% | 0.569 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62 | -40.6 | 175.1 | -177.8 | -102.3 | 0 | 0 | 0 | 112.4 | D161 A162 L163 I169 | D161-Y165 WeakPolarHBondContact O-CB 3.16Å; D161-Y165 PolarHBondContact O-N 3.34Å; A162-Y165 WeakPolarHBondContact O-CB 3.34Å; A162-Y165 PolarHBondContact O-N 3.4Å; L163-Y165 VanDerWaalsContact C-N 3.3Å; L163-Y165 PolarHBondContact O-N 3.18Å; Y165-I169 HydrophobicContact CD1-CD1 3.79Å; Y165-I169 HydrophobicContact CE1-CD1 3.35Å; Y165-I169 HydrophobicContact CE1-CG1 4.44Å; Y165-I169 WeakPolarHBondContact O-CG1 3.36Å; Y165-I169 PolarHBondContact O-N 3.42Å; Y165-I169 VanDerWaalsContact O-N 3.14Å |
| 166 | F | 71.2 | Confident | 77.8 | Confident | 129 Ų | 129 | 103.7 Ų | 103.7 | 57% | 0.566 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -69 | -39.1 | 176.5 | -76.1 | -62 | 0 | 0 | 0 | 113.4 | A162 L163 M164 E168 I169 R170 | A162-F166 WeakPolarHBondContact O-CD2 3.32Å; A162-F166 PolarHBondContact O-N 3.26Å; L163-F166 PolarHBondContact O-N 3.49Å; L163-F166 VanDerWaalsContact O-N 3.16Å; M164-F166 PolarHBondContact O-N 3.4Å; F166-E168 VanDerWaalsContact C-N 3.34Å; F166-I169 PolarHBondContact O-N 3.25Å; F166-R170 PolarHBondContact O-N 2.81Å |
| 167 | D | 79.2 | Confident | 76.1 | Confident | 84 Ų | 84 | 110.4 Ų | 110.4 | 45% | 0.449 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.8 | -37 | 176 | -84.7 | -28.3 | 0 | 0 | 0 | 111.5 | L163 M164 R170 S171 | L163-D167 PolarHBondContact O-N 3.36Å; M164-D167 PolarHBondContact O-N 2.98Å; D167-R170 PolarHBondContact O-N 3.31Å; D167-R170 IonicContact OD1-CZ 3.06Å; D167-R170 IonicContact OD1-NH1 3.77Å; D167-R170 PolarHBondContact OD1-NH1 3.14Å; D167-R170 IonicContact OD1-NH2 3.54Å; D167-S171 WeakPolarHBondContact O-CB 3.37Å; D167-S171 PolarHBondContact O-N 3.46Å |
| 168 | E | 80.4 | Confident | 75.6 | Confident | 124 Ų | 124 | 111.3 Ų | 111.3 | 58% | 0.579 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -61.3 | -44.7 | 172.4 | -173.1 | 177.1 | -178.4 | 0 | 0 | 111.4 | M164 F166 R170 S171 N172 | M164-E168 PolarHBondContact O-N 3.37Å; F166-E168 VanDerWaalsContact C-N 3.34Å; E168-R170 PolarHBondContact O-N 3.01Å; E168-S171 PolarHBondContact O-N 3.49Å; E168-N172 WeakPolarHBondContact O-CB 3.31Å; E168-N172 VanDerWaalsContact O-CG 3.3Å; E168-N172 PolarHBondContact O-N 3.47Å; E168-N172 PolarHBondContact O-ND2 2.91Å; E168-N172 VanDerWaalsContact O-ND2 3.09Å |
| 169 | I | 76.1 | Confident | 75.1 | Confident | 65 Ų | 65 | 113 Ų | 113 | 33% | 0.333 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -60.6 | -45.6 | 173.6 | -68.9 | 169 | 0 | 0 | 0 | 111 | Y165 F166 N172 L173 | Y165-I169 HydrophobicContact CD1-CD1 3.79Å; Y165-I169 HydrophobicContact CE1-CD1 3.35Å; Y165-I169 HydrophobicContact CE1-CG1 4.44Å; Y165-I169 WeakPolarHBondContact O-CG1 3.36Å; Y165-I169 PolarHBondContact O-N 3.42Å; Y165-I169 VanDerWaalsContact O-N 3.14Å; F166-I169 PolarHBondContact O-N 3.25Å; I169-N172 PolarHBondContact O-N 2.89Å; I169-L173 HydrophobicContact CG2-CD1 3.98Å; I169-L173 WeakPolarHBondContact O-CG 3.39Å; I169-L173 PolarHBondContact O-N 3.2Å |
| 170 | R | 74.7 | Confident | 74.5 | Confident | 138 Ų | 138 | 114.3 Ų | 114.3 | 52% | 0.521 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.9 | -46.1 | -179.9 | -166.5 | -178.8 | 83.4 | -129.6 | -7.5 | 111.5 | F166 D167 E168 N172 L173 E174 | F166-R170 PolarHBondContact O-N 2.81Å; D167-R170 PolarHBondContact O-N 3.31Å; D167-R170 IonicContact OD1-CZ 3.06Å; D167-R170 IonicContact OD1-NH1 3.77Å; D167-R170 PolarHBondContact OD1-NH1 3.14Å; D167-R170 IonicContact OD1-NH2 3.54Å; E168-R170 PolarHBondContact O-N 3.01Å; R170-N172 VanDerWaalsContact C-N 3.28Å; R170-N172 PolarHBondContact O-N 2.95Å; R170-L173 PolarHBondContact O-N 3.33Å; R170-L173 VanDerWaalsContact O-N 3.13Å; R170-E174 IonicContact NE-OE1 2.65Å; R170-E174 PolarHBondContact NE-OE1 3.31Å; R170-E174 WeakPolarHBondContact O-CG 3.15Å; R170-E174 PolarHBondContact O-N 2.97Å |
| 171 | S | 77.2 | Confident | 74.1 | Confident | 59 Ų | 59 | 115.8 Ų | 115.8 | 41% | 0.413 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -60.5 | -38.8 | 177.9 | -173.3 | 0 | 0 | 0 | 0 | 111.9 | D167 E168 F175 | D167-S171 WeakPolarHBondContact O-CB 3.37Å; D167-S171 PolarHBondContact O-N 3.46Å; E168-S171 PolarHBondContact O-N 3.49Å; S171-F175 PolarHBondContact O-N 3.48Å |
| 172 | N | 77.3 | Confident | 73.4 | Confident | 85 Ų | 85 | 116.5 Ų | 116.5 | 46% | 0.455 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65.2 | -42.9 | 175.2 | -74.4 | -34.8 | 0 | 0 | 0 | 111.1 | E168 I169 R170 F175 F176 | E168-N172 WeakPolarHBondContact O-CB 3.31Å; E168-N172 VanDerWaalsContact O-CG 3.3Å; E168-N172 PolarHBondContact O-N 3.47Å; E168-N172 PolarHBondContact O-ND2 2.91Å; E168-N172 VanDerWaalsContact O-ND2 3.09Å; I169-N172 PolarHBondContact O-N 2.89Å; R170-N172 VanDerWaalsContact C-N 3.28Å; R170-N172 PolarHBondContact O-N 2.95Å; N172-F175 WeakPolarHBondContact O-CB 3.2Å; N172-F175 PolarHBondContact O-N 3.13Å; N172-F176 WeakPolarHBondContact O-CD2 3.48Å; N172-F176 WeakPolarHBondContact O-CE2 3.25Å |
| 173 | L | 72.5 | Confident | 73.3 | Confident | 109 Ų | 109 | 121.4 Ų | 121.4 | 57% | 0.571 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -66.2 | -37.9 | 177.5 | -70.9 | 169.8 | 0 | 0 | 0 | 113.1 | I169 R170 F175 F176 | I169-L173 HydrophobicContact CG2-CD1 3.98Å; I169-L173 WeakPolarHBondContact O-CG 3.39Å; I169-L173 PolarHBondContact O-N 3.2Å; R170-L173 PolarHBondContact O-N 3.33Å; R170-L173 VanDerWaalsContact O-N 3.13Å; L173-F175 VanDerWaalsContact C-N 3.26Å; L173-F175 PolarHBondContact O-N 3.04Å; L173-F176 PolarHBondContact O-N 3.47Å |
| 174 | E | 75 | Confident | 72.6 | Confident | 115 Ų | 115 | 123.1 Ų | 123.1 | 54% | 0.537 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -64.5 | -30 | 175 | -74.6 | 174.2 | -162.8 | 0 | 0 | 112.1 | R170 F176 | R170-E174 IonicContact NE-OE1 2.65Å; R170-E174 PolarHBondContact NE-OE1 3.31Å; R170-E174 WeakPolarHBondContact O-CG 3.15Å; R170-E174 PolarHBondContact O-N 2.97Å; E174-F176 PolarHBondContact O-N 3.12Å |
| 175 | F | 64.7 | Low | 71.9 | Confident | 173 Ų | 173 | 123.5 Ų | 123.5 | 76% | 0.759 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | -16.9 | 174.4 | -111.7 | -84.4 | 0 | 0 | 0 | 114.2 | S171 N172 L173 | S171-F175 PolarHBondContact O-N 3.48Å; N172-F175 WeakPolarHBondContact O-CB 3.2Å; N172-F175 PolarHBondContact O-N 3.13Å; L173-F175 VanDerWaalsContact C-N 3.26Å; L173-F175 PolarHBondContact O-N 3.04Å |
| 176 | F | 57 | Low | 71.5 | Confident | 175 Ų | 175 | 121.7 Ų | 121.7 | 77% | 0.768 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.2 | 0.5 | -177.9 | -71.1 | -67 | 0 | 0 | 0 | 114.3 | N172 L173 E174 | N172-F176 WeakPolarHBondContact O-CD2 3.48Å; N172-F176 WeakPolarHBondContact O-CE2 3.25Å; L173-F176 PolarHBondContact O-N 3.47Å; E174-F176 PolarHBondContact O-N 3.12Å |
| 177 | N | 52.6 | Low | 71.5 | Confident | 204 Ų | 204 | 121 Ų | 121 | 100% | 1.091 | 59% | 0.589 | S | S | * | * | trans | -106.9 | 0 | 173.3 | -73.4 | -39 | 0 | 0 | 0 | 111.2 |
Retrieved 177 of 177 residues in 238.8 ms
(Link to these results)